-
1
-
-
0026653140
-
Gas-phase basicities of β-lactams and azetidines, cyclisation effects: An experimental and theoretical study
-
Abboud JLM, Canada T, Homan H, Notario R, Cativiela C, Diaz de Villegas MD, Bordeje MC, Mo O, Yanez M. 1992. Gas-phase basicities of β-lactams and azetidines, cyclisation effects: An experimental and theoretical study. J Am Chem Soc 114:4728-4736.
-
(1992)
J Am Chem Soc
, vol.114
, pp. 4728-4736
-
-
Abboud, J.L.M.1
Canada, T.2
Homan, H.3
Notario, R.4
Cativiela, C.5
Diaz de Villegas, M.D.6
Bordeje, M.C.7
Mo, O.8
Yanez, M.9
-
2
-
-
0000045897
-
Dissociative attachment of protonto 1-fluoro- and 1-chloroadamantane in the gas-phase
-
Abboud JLM, Notario R, Ballesteros E, Herreros M, Mo O, Yanez M, Elguero J, Boyer G, Claramunt R. 1994. Dissociative attachment of protonto 1-fluoro- and 1-chloroadamantane in the gas-phase. J Am Chem Soc 116:2486-2492.
-
(1994)
J Am Chem Soc
, vol.116
, pp. 2486-2492
-
-
Abboud, J.L.M.1
Notario, R.2
Ballesteros, E.3
Herreros, M.4
Mo, O.5
Yanez, M.6
Elguero, J.7
Boyer, G.8
Claramunt, R.9
-
3
-
-
0002425673
-
Flowing afterglow and SIFT
-
Farrar JM, Saunders W, editors, New York: John Wiley & Sons. pp
-
Adams NG, Smith D. 1988. Flowing afterglow and SIFT. In: Farrar JM, Saunders W, editors. Techniques for the study of ion-molecule reactions. New York: John Wiley & Sons. pp. 165-220.
-
(1988)
Techniques for the study of ion-molecule reactions
, pp. 165-220
-
-
Adams, N.G.1
Smith, D.2
-
4
-
-
34648822739
-
Gas phase protonation of α,β and γ-dicarbonyls: Thermochemistry and structures
-
in press
-
Akrour A, Chikh Z, Djazi F, Elbannay M, Berruyer F, Bouchoux G. 2007. Gas phase protonation of α,β and γ-dicarbonyls: Thermochemistry and structures. Int J Mass Spectrom (in press).
-
(2007)
Int J Mass Spectrom
-
-
Akrour, A.1
Chikh, Z.2
Djazi, F.3
Elbannay, M.4
Berruyer, F.5
Bouchoux, G.6
-
5
-
-
0001191231
-
Bond activation by protonation in the gas-phase
-
Alcami M, Mo O, Yanez M, Abboud JLM, Elguero J. 1990. Bond activation by protonation in the gas-phase. Chem Phys Lett 172:471-477.
-
(1990)
Chem Phys Lett
, vol.172
, pp. 471-477
-
-
Alcami, M.1
Mo, O.2
Yanez, M.3
Abboud, J.L.M.4
Elguero, J.5
-
6
-
-
0035410472
-
Computational chemistry: A useful (sometimes mandatory) tool in mass spectrometry studies
-
Alcami M, Mo O, Yanez M. 2001. Computational chemistry: A useful (sometimes mandatory) tool in mass spectrometry studies. Mass Spectrom Rev 20:195-245.
-
(2001)
Mass Spectrom Rev
, vol.20
, pp. 195-245
-
-
Alcami, M.1
Mo, O.2
Yanez, M.3
-
7
-
-
0036499929
-
Modeling intrinsic basicities and acidities
-
Alcami M, Mo O, Yanez M. 2002. Modeling intrinsic basicities and acidities. J Phys Org Chem 15:174-186.
-
(2002)
J Phys Org Chem
, vol.15
, pp. 174-186
-
-
Alcami, M.1
Mo, O.2
Yanez, M.3
-
8
-
-
22944444170
-
Are resonanceassisted hydrogen bonds "resonance assisted"? A theoretical NMR study
-
Alkorta I, Elguero J, Mo O, Yanez M, Del Bene J. 2005. Are resonanceassisted hydrogen bonds "resonance assisted"? A theoretical NMR study. Chel Phys Lett 411:411-415.
-
(2005)
Chel Phys Lett
, vol.411
, pp. 411-415
-
-
Alkorta, I.1
Elguero, J.2
Mo, O.3
Yanez, M.4
Del Bene, J.5
-
9
-
-
0041706164
-
The role of hydride migration in the mechanism of alcohol elimination from protonated ethers upon chemical ionisation. Experiment and theory
-
Ari JB, Karni M, Apeloig Y, Mandelbaum A. 2003. The role of hydride migration in the mechanism of alcohol elimination from protonated ethers upon chemical ionisation. Experiment and theory. Int J Mass Spectrom 228:297-306.
-
(2003)
Int J Mass Spectrom
, vol.228
, pp. 297-306
-
-
Ari, J.B.1
Karni, M.2
Apeloig, Y.3
Mandelbaum, A.4
-
10
-
-
0034478481
-
Entropy measurements and the kinetic method: A statistically meaningful approach
-
Armentrout P. 2000. Entropy measurements and the kinetic method: A statistically meaningful approach. J Am Soc Mass Spectrom 371-379.
-
(2000)
J Am Soc Mass Spectrom
, pp. 371-379
-
-
Armentrout, P.1
-
11
-
-
0000869286
-
Butyl cations and their gas-phase dissociation chemistry: Uniting experiments with theory
-
Aubry C, Holmes JL. 1998. Butyl cations and their gas-phase dissociation chemistry: Uniting experiments with theory. J Phys Chem A 102:6441-6447.
-
(1998)
J Phys Chem A
, vol.102
, pp. 6441-6447
-
-
Aubry, C.1
Holmes, J.L.2
-
12
-
-
0034716187
-
Correlating thermochemical data for gas-phase ion chemistry
-
Aubry C, Holmes JL. 2000. Correlating thermochemical data for gas-phase ion chemistry. Int J Mass Spectrom 200:277-284.
-
(2000)
Int J Mass Spectrom
, vol.200
, pp. 277-284
-
-
Aubry, C.1
Holmes, J.L.2
-
13
-
-
0003102329
-
Stabilities of positive ions from equilibrium gasphase basicity measurements
-
Bowers MT, editor, New York: Academic press. pp
-
Aue DH, Bowers MT. 1979. Stabilities of positive ions from equilibrium gasphase basicity measurements. In: Bowers MT, editor. Gas phase ion chemistry, Vol. 2. New York: Academic press. pp. 1-51.
-
(1979)
Gas phase ion chemistry
, vol.2
, pp. 1-51
-
-
Aue, D.H.1
Bowers, M.T.2
-
14
-
-
33947085649
-
Quantitative evaluation of intramolecular strong hydrogen bonding in the gas-phase
-
Aue DH, Webb HM, Bowers MT. 1973. Quantitative evaluation of intramolecular strong hydrogen bonding in the gas-phase. J Am Chem Soc 95:2699-2701.
-
(1973)
J Am Chem Soc
, vol.95
, pp. 2699-2701
-
-
Aue, D.H.1
Webb, H.M.2
Bowers, M.T.3
-
15
-
-
33847797410
-
Quantitative proton affinities, ionization energies and hydrogen affinities of alkylamines
-
Aue DH, Webb HM, Bowers MT. 1976. Quantitative proton affinities, ionization energies and hydrogen affinities of alkylamines. J Am Chem Soc 98:311-317.
-
(1976)
J Am Chem Soc
, vol.98
, pp. 311-317
-
-
Aue, D.H.1
Webb, H.M.2
Bowers, M.T.3
-
16
-
-
0033796987
-
Ab initio calculated gas-phase basicities of polynuclear aromatic hydrocarbons
-
Aue DH, Guidoni M, Betowski LD. 2000. Ab initio calculated gas-phase basicities of polynuclear aromatic hydrocarbons. Int J Mass Spectrom 201:283-295.
-
(2000)
Int J Mass Spectrom
, vol.201
, pp. 283-295
-
-
Aue, D.H.1
Guidoni, M.2
Betowski, L.D.3
-
19
-
-
0348110576
-
An approximation for hindered rotor state energies
-
Barker JR, Shovlin CN. 2004. An approximation for hindered rotor state energies. Chem Phys Lett 383:203-207.
-
(2004)
Chem Phys Lett
, vol.383
, pp. 203-207
-
-
Barker, J.R.1
Shovlin, C.N.2
-
20
-
-
84994924706
-
Gas-phase equilibrium affinity scales and chemical ionization mass spectrometry
-
Bartmess JE. 1989. Gas-phase equilibrium affinity scales and chemical ionization mass spectrometry. Mass Spectrom Rev 8:297-343.
-
(1989)
Mass Spectrom Rev
, vol.8
, pp. 297-343
-
-
Bartmess, J.E.1
-
21
-
-
33751159032
-
Thermodynamic of the electron and the proton
-
Bartmess JE. 1994. Thermodynamic of the electron and the proton. J Phys Chem 98:6420-6424.
-
(1994)
J Phys Chem
, vol.98
, pp. 6420-6424
-
-
Bartmess, J.E.1
-
22
-
-
1842682230
-
The bracketing method for determining the mermochemistry of ion-molecule reactions
-
Amsterdam: Elsevier, pp
-
Bartmess JE. 2003. The bracketing method for determining the mermochemistry of ion-molecule reactions. Encyclopedia of mass spectrometry, Vol. 1. Amsterdam: Elsevier, pp. 315-319.
-
(2003)
Encyclopedia of mass spectrometry
, vol.1
, pp. 315-319
-
-
Bartmess, J.E.1
-
23
-
-
0041332988
-
Ion-molecule reactions of 2-butanol by ion cyclotron resonance spectroscopy
-
Beauchamp JL, Caserio MC. 1972. Ion-molecule reactions of 2-butanol by ion cyclotron resonance spectroscopy. J Am Chem Soc 94:2638-2646.
-
(1972)
J Am Chem Soc
, vol.94
, pp. 2638-2646
-
-
Beauchamp, J.L.1
Caserio, M.C.2
-
24
-
-
0004258726
-
-
2nd edition. London: Chapman and Hall
-
Bell RP. 1973. The proton in chemistry, 2nd edition. London: Chapman and Hall.
-
(1973)
The proton in chemistry
-
-
Bell, R.P.1
-
25
-
-
33847089564
-
Predictive value of proton affinity. Ionisation energy correlations involving oxygenated molecules
-
Benoit FM, Harrison AG. 1977. Predictive value of proton affinity. Ionisation energy correlations involving oxygenated molecules. J Am Chem Soc 99:3980-3984.
-
(1977)
J Am Chem Soc
, vol.99
, pp. 3980-3984
-
-
Benoit, F.M.1
Harrison, A.G.2
-
26
-
-
0004183235
-
-
2nd edition. New York: John Wiley & Sons
-
Benson SW. 1976. Thermochemical kinetics, 2nd edition. New York: John Wiley & Sons.
-
(1976)
Thermochemical kinetics
-
-
Benson, S.W.1
-
28
-
-
35448930636
-
-
Boggs PT, Byrd RH, Rogers JE, Schnabel RB. 1992. ODRPACK version 2.01 Software for weighted orthogonal distance regression. Report NISTIR 92-4834, National Institute of Standards and Technology, Gaithersburg, MD
-
Boggs PT, Byrd RH, Rogers JE, Schnabel RB. 1992. ODRPACK version 2.01 Software for weighted orthogonal distance regression. Report NISTIR 92-4834, National Institute of Standards and Technology, Gaithersburg, MD.
-
-
-
-
29
-
-
0002641468
-
Proton transport in the catalyzed gas-phase isomerization of protonated molecules
-
Bohme. 1992. Proton transport in the catalyzed gas-phase isomerization of protonated molecules. Int J Mass Spectrom 115:95-110.
-
(1992)
Int J Mass Spectrom
, vol.115
, pp. 95-110
-
-
Bohme1
-
31
-
-
37049082684
-
On the proton affinity of some a-aminoacids and the theory of the kinetic method
-
Bojesen G, Breindahl T. 1994. On the proton affinity of some a-aminoacids and the theory of the kinetic method. J Chem Soc Perkin Trans 2:1029-1037.
-
(1994)
J Chem Soc Perkin Trans
, vol.2
, pp. 1029-1037
-
-
Bojesen, G.1
Breindahl, T.2
-
32
-
-
0000054689
-
Cyclization effects on the gas-phase basicities of esters and ethers. An experimental and MO study
-
Bordeje MC, Mo O, Yanez M, Herreros M, Abboud JLM. 1993. Cyclization effects on the gas-phase basicities of esters and ethers. An experimental and MO study. J Am Chem Soc 115:7389-7396.
-
(1993)
J Am Chem Soc
, vol.115
, pp. 7389-7396
-
-
Bordeje, M.C.1
Mo, O.2
Yanez, M.3
Herreros, M.4
Abboud, J.L.M.5
-
33
-
-
33746379894
-
Microcanonical modeling of the thermokinetic method
-
Bouchoux G. 2006a. Microcanonical modeling of the thermokinetic method. J Phys Chem A 110:8259-8265.
-
(2006)
J Phys Chem A
, vol.110
, pp. 8259-8265
-
-
Bouchoux, G.1
-
34
-
-
33748336280
-
Evaluation of the protonation thermochemistry obtained by the extended kinetic method
-
Bouchoux G. 2006b. Evaluation of the protonation thermochemistry obtained by the extended kinetic method. J Mass Spectrom 41:1006-1013.
-
(2006)
J Mass Spectrom
, vol.41
, pp. 1006-1013
-
-
Bouchoux, G.1
-
35
-
-
0142072025
-
Protonation thermochemistry of α,ω-alkanediols in the gas-phase: A theoretical study
-
Bouchoux G, Berruyer-Penaud F. 2003c. Protonation thermochemistry of α,ω-alkanediols in the gas-phase: A theoretical study. J Phys Chem A 107:7931-7937.
-
(2003)
J Phys Chem A
, vol.107
, pp. 7931-7937
-
-
Bouchoux, G.1
Berruyer-Penaud, F.2
-
37
-
-
0030703696
-
Reactions between protonated and neutral methanol in the gas-phase: An ab initio molecular orbital study
-
Bouchoux G, Choet N. 1997. Reactions between protonated and neutral methanol in the gas-phase: an ab initio molecular orbital study. Rapid Commun Mass Spectrom 11:1799-1807.
-
(1997)
Rapid Commun Mass Spectrom
, vol.11
, pp. 1799-1807
-
-
Bouchoux, G.1
Choet, N.2
-
38
-
-
0003176206
-
Ring size effect on the gas-phase protonation of cyclic ketones
-
Bouchoux G, Houriet R. 1984. Ring size effect on the gas-phase protonation of cyclic ketones. Tetrahedron Lett 25:5755-5758.
-
(1984)
Tetrahedron Lett
, vol.25
, pp. 5755-5758
-
-
Bouchoux, G.1
Houriet, R.2
-
39
-
-
0006209206
-
Gas-phase basicities of lactones
-
Bouchoux G, Drancourt D, Leblanc D, Yanez M, Mo O. 1995. Gas-phase basicities of lactones. New J Chem 19:1243-1257.
-
(1995)
New J Chem
, vol.19
, pp. 1243-1257
-
-
Bouchoux, G.1
Drancourt, D.2
Leblanc, D.3
Yanez, M.4
Mo, O.5
-
40
-
-
0002324163
-
A relationship between the kinetics and thermochemistry of proton transfer reactions in the gas phase
-
Bouchoux G, Salpin JY, Leblanc D. 1996. A relationship between the kinetics and thermochemistry of proton transfer reactions in the gas phase. Int J Mass Spectrom 153:37-48.
-
(1996)
Int J Mass Spectrom
, vol.153
, pp. 37-48
-
-
Bouchoux, G.1
Salpin, J.Y.2
Leblanc, D.3
-
41
-
-
0001244467
-
Gas-phase basicities of acid anhydrides
-
Bouchoux G, Gal JF, Maria PC, Szulejko JE, McMahon TB, Tortajada J, Luna A, Yanez M, Mo O. 1998. Gas-phase basicities of acid anhydrides. J Phys Chem A 102:9183-9192.
-
(1998)
J Phys Chem A
, vol.102
, pp. 9183-9192
-
-
Bouchoux, G.1
Gal, J.F.2
Maria, P.C.3
Szulejko, J.E.4
McMahon, T.B.5
Tortajada, J.6
Luna, A.7
Yanez, M.8
Mo, O.9
-
42
-
-
4243301718
-
Isomerization and dissociation processes of protonated benzene and protonated fulvene in the gas phase
-
Bouchoux G, Yanez M, Mo O. 1999. Isomerization and dissociation processes of protonated benzene and protonated fulvene in the gas phase. Int J Mass Spectrom 185/186/187:241-251.
-
(1999)
Int J Mass Spectrom
, vol.185-186
, Issue.187
, pp. 241-251
-
-
Bouchoux, G.1
Yanez, M.2
Mo, O.3
-
43
-
-
0035889098
-
a. Gas phase basicities of ethyl halides
-
Bouchoux G, Caunan F, Leblanc D, Nguyen MT, Salpin JY. 2001 a. Gas phase basicities of ethyl halides. Chem Phys Chem 1:604-610.
-
(2001)
Chem Phys Chem
, vol.1
, pp. 604-610
-
-
Bouchoux, G.1
Caunan, F.2
Leblanc, D.3
Nguyen, M.T.4
Salpin, J.Y.5
-
44
-
-
0035860261
-
Determination of ionization energies by the thermokinetic method
-
Bouchoux G, Leblanc D, Sablier M. 2001b. Determination of ionization energies by the thermokinetic method. Int J Mass Spectrom 210/211: 189-201.
-
(2001)
Int J Mass Spectrom
, vol.210-211
, pp. 189-201
-
-
Bouchoux, G.1
Leblanc, D.2
Sablier, M.3
-
45
-
-
0142072025
-
Protonation thermochemistry of α,ω-alkyldiamines in the gas-phase: A theoretical study
-
Bouchoux G, Choret N, Berruyer-Penaud F. 2001c. Protonation thermochemistry of α,ω-alkyldiamines in the gas-phase: A theoretical study. J Phys Chem A 107:7931-7937.
-
(2001)
J Phys Chem A
, vol.107
, pp. 7931-7937
-
-
Bouchoux, G.1
Choret, N.2
Berruyer-Penaud, F.3
-
46
-
-
0036608091
-
Thermochemistry and unimolecular reactivity of protonated α,ω,- aminoalcohols in the gas-phase
-
Bouchoux G, Choret N, Berruyer-Penaud F, Flammang R. 2002. Thermochemistry and unimolecular reactivity of protonated α,ω,- aminoalcohols in the gas-phase. Int J Mass Spectrom 217:195-230.
-
(2002)
Int J Mass Spectrom
, vol.217
, pp. 195-230
-
-
Bouchoux, G.1
Choret, N.2
Berruyer-Penaud, F.3
Flammang, R.4
-
47
-
-
0038517827
-
Application of the kinetic method to bifunctional bases. MIKE and CID-MIKE test cases
-
Bouchoux G, Djazi F, Gaillard F, Vierezet D. 2003a. Application of the kinetic method to bifunctional bases. MIKE and CID-MIKE test cases. Int J Mass Spectrom 227:479-496.
-
(2003)
Int J Mass Spectrom
, vol.227
, pp. 479-496
-
-
Bouchoux, G.1
Djazi, F.2
Gaillard, F.3
Vierezet, D.4
-
48
-
-
0042744896
-
Application of the kinetic method to bifunctional bases. ESI tandem quadrupole experiments
-
Bouchoux G, Buisson DA, Bourcier S, Sablier M. 2003b. Application of the kinetic method to bifunctional bases. ESI tandem quadrupole experiments. Int J Mass Spectrom 228:1035-1054.
-
(2003)
Int J Mass Spectrom
, vol.228
, pp. 1035-1054
-
-
Bouchoux, G.1
Buisson, D.A.2
Bourcier, S.3
Sablier, M.4
-
49
-
-
4544352935
-
Obtaining thermochemical data by the extended kinetic method
-
Bouchoux G, Sablier M, Berruyer-Penaud F. 2004. Obtaining thermochemical data by the extended kinetic method. J Mass Spectrom 39:986-997.
-
(2004)
J Mass Spectrom
, vol.39
, pp. 986-997
-
-
Bouchoux, G.1
Sablier, M.2
Berruyer-Penaud, F.3
-
50
-
-
30344481940
-
Protonation thermochemistry of selected hydroxy and methoxycarbonyl molecules
-
Bouchoux G, Leblanc D, Bertrand W, McMahon TB, Szulejko JE, Berruyer-Penaud F, Mo O, Yanez M. 2005. Protonation thermochemistry of selected hydroxy and methoxycarbonyl molecules. J Phys Chem A 109:11851-11859.
-
(2005)
J Phys Chem A
, vol.109
, pp. 11851-11859
-
-
Bouchoux, G.1
Leblanc, D.2
Bertrand, W.3
McMahon, T.B.4
Szulejko, J.E.5
Berruyer-Penaud, F.6
Mo, O.7
Yanez, M.8
-
51
-
-
0000233450
-
Equilibrium constants for gas-phase ionic reactions. Accurate determination of relative proton affinities
-
Bowers MT, Aue DH, Webb HM, McIver RT. 1971. Equilibrium constants for gas-phase ionic reactions. Accurate determination of relative proton affinities. J Am Chem Soc 93:4314-4315.
-
(1971)
J Am Chem Soc
, vol.93
, pp. 4314-4315
-
-
Bowers, M.T.1
Aue, D.H.2
Webb, H.M.3
McIver, R.T.4
-
52
-
-
0030907858
-
A theoretical study of the effects of protonation and deprotonation on bond dissociation energies of second row elements: Comparison with first row elements
-
Boyd SL, Boyd RJ. 1997. A theoretical study of the effects of protonation and deprotonation on bond dissociation energies of second row elements: Comparison with first row elements. J Am Chem Soc 119:4214-4219.
-
(1997)
J Am Chem Soc
, vol.119
, pp. 4214-4219
-
-
Boyd, S.L.1
Boyd, R.J.2
-
53
-
-
0001464603
-
A theoretical study of the effects of protonation and deprotonation on bond dissociation energies of third row elements: Homolytic versus heterolytic cleavage
-
Boyd SL, Boyd RJ. 1999. A theoretical study of the effects of protonation and deprotonation on bond dissociation energies of third row elements: Homolytic versus heterolytic cleavage. J Phys Chem A 103:7087-7093.
-
(1999)
J Phys Chem A
, vol.103
, pp. 7087-7093
-
-
Boyd, S.L.1
Boyd, R.J.2
-
54
-
-
0000603102
-
A theoretical study of the effects of protonation and deprotonation on bond dissociation energies
-
Boyd SL, Boyd RJ, Bessonette PW, Kerdraon DI, Aucoin NT. 1995. A theoretical study of the effects of protonation and deprotonation on bond dissociation energies, J Am Chem Soc 117:8816-8822.
-
(1995)
J Am Chem Soc
, vol.117
, pp. 8816-8822
-
-
Boyd, S.L.1
Boyd, R.J.2
Bessonette, P.W.3
Kerdraon, D.I.4
Aucoin, N.T.5
-
55
-
-
33947343179
-
Acid and basic catalysis
-
Brönsted JN. 1928. Acid and basic catalysis. Chem Rev 5:231-338.
-
(1928)
Chem Rev
, vol.5
, pp. 231-338
-
-
Brönsted, J.N.1
-
57
-
-
0001520083
-
Critical test of performance of B3LYP functional for prediction of gas phase acidities and basicities
-
Burk P, Koppel IA, Koppel I, Leito I, Travnikova O. 2000. Critical test of performance of B3LYP functional for prediction of gas phase acidities and basicities. Chem Phys Lett 323:482-489.
-
(2000)
Chem Phys Lett
, vol.323
, pp. 482-489
-
-
Burk, P.1
Koppel, I.A.2
Koppel, I.3
Leito, I.4
Travnikova, O.5
-
58
-
-
0003033276
-
Correlations of lone pair ionization energies with proton affinities of amino acids and related compounds. Site specificity of protonation
-
Campbell S, Beauchamp JL, Rempe M, Lichtenberger DL. 1992. Correlations of lone pair ionization energies with proton affinities of amino acids and related compounds. Site specificity of protonation. Int J Mass Spectrom Ion Proc 117:83-99.
-
(1992)
Int J Mass Spectrom Ion Proc
, vol.117
, pp. 83-99
-
-
Campbell, S.1
Beauchamp, J.L.2
Rempe, M.3
Lichtenberger, D.L.4
-
59
-
-
0001861213
-
Determining the proton affinities of nitriles by the kinetic method
-
Cao J, Holmes JL. 1999. Determining the proton affinities of nitriles by the kinetic method. Eur J Mass Spectrom 5:19-22.
-
(1999)
Eur J Mass Spectrom
, vol.5
, pp. 19-22
-
-
Cao, J.1
Holmes, J.L.2
-
60
-
-
0034322926
-
Proton affinities of simple amines; entropies and enthalpies of activation and their effect on the kinetic method for evaluating proton affinities
-
Cao J, Aubry C, Holmes JL. 2000. Proton affinities of simple amines; entropies and enthalpies of activation and their effect on the kinetic method for evaluating proton affinities. J Phys Chem 104:10045-10052.
-
(2000)
J Phys Chem
, vol.104
, pp. 10045-10052
-
-
Cao, J.1
Aubry, C.2
Holmes, J.L.3
-
61
-
-
0345877569
-
Correlation between proton affinity and core-electron ionization potentials for double-bonded oxygen. Site of protonation in esters
-
Carroll TX, Smith SR, Thomas TD. 1974. Correlation between proton affinity and core-electron ionization potentials for double-bonded oxygen. Site of protonation in esters. J Am Chem Soc 97:659-660.
-
(1974)
J Am Chem Soc
, vol.97
, pp. 659-660
-
-
Carroll, T.X.1
Smith, S.R.2
Thomas, T.D.3
-
62
-
-
0029959473
-
+ Binding to the DNA and RNA Nucleobases. Bond energies and attachment sites from the dissociation of metal ion-bound heterodimers
-
+ Binding to the DNA and RNA Nucleobases. Bond energies and attachment sites from the dissociation of metal ion-bound heterodimers. J Am Chem Soc 118:11884-11892.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 11884-11892
-
-
Cerda, B.A.1
Wesdemiotis, C.2
-
63
-
-
0030858594
-
Proton-transport catalysis: A systematic study of the rearrangement of the isoformyl cation to the formyl cation
-
Chalk AJ, Radom L. 1997. Proton-transport catalysis: A systematic study of the rearrangement of the isoformyl cation to the formyl cation. J Am Chem Soc 119:7573-7578.
-
(1997)
J Am Chem Soc
, vol.119
, pp. 7573-7578
-
-
Chalk, A.J.1
Radom, L.2
-
64
-
-
22444436150
-
On the relationship between the preferred site of hydrogen bonding and protonation
-
Chan B, Del Bene JE, Elgero J, Radom L. 2005. On the relationship between the preferred site of hydrogen bonding and protonation. J Phys Chem A 109:5509-5517.
-
(2005)
J Phys Chem A
, vol.109
, pp. 5509-5517
-
-
Chan, B.1
Del Bene, J.E.2
Elgero, J.3
Radom, L.4
-
65
-
-
0038172287
-
Structures, intramolecular rotation barriers and thermochemical properties of methyl, ethyl, methyl isopropyl, and methyl tert-butyl ethers and the corresponding radicals
-
Chen CC, Bozzelli JW. 2003. Structures, intramolecular rotation barriers and thermochemical properties of methyl, ethyl, methyl isopropyl, and methyl tert-butyl ethers and the corresponding radicals. J Phys Chem A 107:4531-4546.
-
(2003)
J Phys Chem A
, vol.107
, pp. 4531-4546
-
-
Chen, C.C.1
Bozzelli, J.W.2
-
66
-
-
0037461201
-
Gas phase regioselectivity in the deprotonation of p-cresol radical cation
-
Chiavarino B, Crestoni ME, Fornatini S. 2003. Gas phase regioselectivity in the deprotonation of p-cresol radical cation. Chem Phys Lett 372:183-186.
-
(2003)
Chem Phys Lett
, vol.372
, pp. 183-186
-
-
Chiavarino, B.1
Crestoni, M.E.2
Fornatini, S.3
-
67
-
-
0001405182
-
Statistical thermodynamics of bond torsional modes
-
Chuang YY, Truhlar D. 2000. Statistical thermodynamics of bond torsional modes. J Chem Phys 112:1221-1228.
-
(2000)
J Chem Phys
, vol.112
, pp. 1221-1228
-
-
Chuang, Y.Y.1
Truhlar, D.2
-
69
-
-
0000590615
-
Catastrophes, bifurcations and hysteresis loops in torsional potentials of internal rotations in molecules
-
Cioslowsky J, Scott AP, Radom L. 1997. Catastrophes, bifurcations and hysteresis loops in torsional potentials of internal rotations in molecules. Mol Phys 91:413-420.
-
(1997)
Mol Phys
, vol.91
, pp. 413-420
-
-
Cioslowsky, J.1
Scott, A.P.2
Radom, L.3
-
70
-
-
0037961607
-
+ and analogous deuterated reactions
-
+ and analogous deuterated reactions. J Chem Phys 118:6222-6229.
-
(2003)
J Chem Phys
, vol.118
, pp. 6222-6229
-
-
Collins, M.A.1
Radom, L.2
-
71
-
-
33847089245
-
Intrinsic basicity determination using metastable ions
-
Cooks RG, Kruger TL. 1977. Intrinsic basicity determination using metastable ions. J Am Chem Soc 99:1279-1281.
-
(1977)
J Am Chem Soc
, vol.99
, pp. 1279-1281
-
-
Cooks, R.G.1
Kruger, T.L.2
-
72
-
-
0000066748
-
Kinetic method of making thermochemical determinations: Advances and applications
-
Cooks RG, Wong PSH. 1998. Kinetic method of making thermochemical determinations: Advances and applications. Account Chem Res 31: 379-386.
-
(1998)
Account Chem Res
, vol.31
, pp. 379-386
-
-
Cooks, R.G.1
Wong, P.S.H.2
-
74
-
-
0033035044
-
The kinetic method of making thermochemical determinations
-
Cooks RG, Koskinen JT, Thomas PD. 1999. The kinetic method of making thermochemical determinations. J Mass Spectrom 34:85-92.
-
(1999)
J Mass Spectrom
, vol.34
, pp. 85-92
-
-
Cooks, R.G.1
Koskinen, J.T.2
Thomas, P.D.3
-
75
-
-
0346150271
-
Variable trends in R-X bond dissociation energies (R = Me, Et, I-Pr, t-Bu)
-
Coote ML, Pross A, Radom L. 2003. Variable trends in R-X bond dissociation energies (R = Me, Et, I-Pr, t-Bu). Org Lett 5:4689-4692.
-
(2003)
Org Lett
, vol.5
, pp. 4689-4692
-
-
Coote, M.L.1
Pross, A.2
Radom, L.3
-
78
-
-
5644251915
-
Thermodynamic properties of gas-phase hydrogen bonded complexes
-
Curtiss LA, Blander M. 1988. Thermodynamic properties of gas-phase hydrogen bonded complexes. Chem Rev 88:827-841.
-
(1988)
Chem Rev
, vol.88
, pp. 827-841
-
-
Curtiss, L.A.1
Blander, M.2
-
79
-
-
36549093827
-
Theoretical study of structures and energies of acetylene, ethylene and vinyl radical and cation
-
Curtiss LA, Pople JA. 1988. Theoretical study of structures and energies of acetylene, ethylene and vinyl radical and cation. J Chem Phys 88:7405-7409.
-
(1988)
J Chem Phys
, vol.88
, pp. 7405-7409
-
-
Curtiss, L.A.1
Pople, J.A.2
-
80
-
-
0036706577
-
Gaussian-3 and related methods for accurate thermochemistry
-
Curtiss LA, Raghavachari K. 2002. Gaussian-3 and related methods for accurate thermochemistry. Theor Chem Ace 108:61-70.
-
(2002)
Theor Chem Ace
, vol.108
, pp. 61-70
-
-
Curtiss, L.A.1
Raghavachari, K.2
-
81
-
-
0041401966
-
A Gaussian-2 theory for molecular energies of first- and second-row compounds
-
Curtiss LA, Raghavachari K, Trucks GW, Pople JA. 1991. A Gaussian-2 theory for molecular energies of first- and second-row compounds. J Chem Phys 94:7221-7230.
-
(1991)
J Chem Phys
, vol.94
, pp. 7221-7230
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
82
-
-
0001213712
-
Assessment of Gaussian-3 and density functional theories for a larger experimental set
-
Curtiss LA, Raghavachari K, Redfern PC, Pople JA. 2000. Assessment of Gaussian-3 and density functional theories for a larger experimental set. J Chem Phys 112:7374-7383.
-
(2000)
J Chem Phys
, vol.112
, pp. 7374-7383
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Pople, J.A.4
-
83
-
-
33746414700
-
Thermochemical properties (enthalpy, bond energy, entropy, heat capacity) and internal rotor potentials of vinyl alcohol, methylvinyl ether and their corresponding radicals
-
Da Silva G, Kim CH, Bozzelli JW. 2006. Thermochemical properties (enthalpy, bond energy, entropy, heat capacity) and internal rotor potentials of vinyl alcohol, methylvinyl ether and their corresponding radicals. J Phys Chem A 110:7925-7934.
-
(2006)
J Phys Chem A
, vol.110
, pp. 7925-7934
-
-
Da Silva, G.1
Kim, C.H.2
Bozzelli, J.W.3
-
84
-
-
33746454717
-
Ab initio and experimental thermodynamic and kinetic study of proton assisted bond activation in gaseous hydrocarbons: Deconvolution of reaction efficiencies in the case of adamantine
-
Davalos JZ, Herrero R, Quintanilla E, Jimenez P, Gal JF, Maria PC, Abboud JL. 2006. Ab initio and experimental thermodynamic and kinetic study of proton assisted bond activation in gaseous hydrocarbons: Deconvolution of reaction efficiencies in the case of adamantine. Chem Eur J 12:5505-5513.
-
(2006)
Chem Eur J
, vol.12
, pp. 5505-5513
-
-
Davalos, J.Z.1
Herrero, R.2
Quintanilla, E.3
Jimenez, P.4
Gal, J.F.5
Maria, P.C.6
Abboud, J.L.7
-
85
-
-
0001363625
-
Hydrogen bonding of water to onium ions. Hydration of substituted pyridinium ions and related systems
-
Davidson WR, Sunner J, Kebarle P. 1979. Hydrogen bonding of water to onium ions. Hydration of substituted pyridinium ions and related systems. J Am Chem Soc 101:1675-1680.
-
(1979)
J Am Chem Soc
, vol.101
, pp. 1675-1680
-
-
Davidson, W.R.1
Sunner, J.2
Kebarle, P.3
-
86
-
-
0004578201
-
Model for proton affinities and inner-shell electron binding energies based on the Hellmann-Feynman theorem
-
Davis DW, Rabalais JW. 1974. Model for proton affinities and inner-shell electron binding energies based on the Hellmann-Feynman theorem. J Am Chem Soc 96:5305-5310.
-
(1974)
J Am Chem Soc
, vol.96
, pp. 5305-5310
-
-
Davis, D.W.1
Rabalais, J.W.2
-
87
-
-
0037503786
-
Proton affinities and gas-phase basicities: Theoretical methods and structural effects
-
Deakyne CA. 2003. Proton affinities and gas-phase basicities: Theoretical methods and structural effects. Int J Mass Spectrom 227:601-616.
-
(2003)
Int J Mass Spectrom
, vol.227
, pp. 601-616
-
-
Deakyne, C.A.1
-
89
-
-
0542435477
-
On the use of the kinetic method for the determination of proton affinities by Fourier transform ion cyclotron resonance mass spectrometry
-
Decouzon M, Gal JF, Herreros M, Maria PC, Murrell J, Todd JFJ. 1996. On the use of the kinetic method for the determination of proton affinities by Fourier transform ion cyclotron resonance mass spectrometry. Rapid Commun Mass Spectrom 10:242-245.
-
(1996)
Rapid Commun Mass Spectrom
, vol.10
, pp. 242-245
-
-
Decouzon, M.1
Gal, J.F.2
Herreros, M.3
Maria, P.C.4
Murrell, J.5
Todd, J.F.J.6
-
90
-
-
33751240066
-
Estimation of intramolecular hydrogen bond energy via molecular tailoring approach
-
Deshmukh MM, Gadre SR, Bartolotti LJ. 2006. Estimation of intramolecular hydrogen bond energy via molecular tailoring approach. J Phys Chem A 110:12519-12523.
-
(2006)
J Phys Chem A
, vol.110
, pp. 12519-12523
-
-
Deshmukh, M.M.1
Gadre, S.R.2
Bartolotti, L.J.3
-
92
-
-
34547554847
-
The correlation consistent approach (ccCA): An alternative to me Gaussian-n methods
-
DeYonker NJ, Cundari TR, Wilson AK. 2006. The correlation consistent approach (ccCA): An alternative to me Gaussian-n methods. J Chem Phys 124:114104.
-
(2006)
J Chem Phys
, vol.124
, pp. 114104
-
-
DeYonker, N.J.1
Cundari, T.R.2
Wilson, A.K.3
-
93
-
-
33748686842
-
The correlation consistent approach: Application to the G3/99 test set
-
DeYonker NJ, Grimes T, Yockel S, Dinescu A, Mintz B, Cundari TR, Wilson AK. 2006. The correlation consistent approach: Application to the G3/99 test set. J Chem Phys 125:104111.
-
(2006)
J Chem Phys
, vol.125
, pp. 104111
-
-
DeYonker, N.J.1
Grimes, T.2
Yockel, S.3
Dinescu, A.4
Mintz, B.5
Cundari, T.R.6
Wilson, A.K.7
-
94
-
-
25444515643
-
Protonation sites of isolated fluorobenzene revealed by IR spectroscopy in me fingerprint range
-
Dopfer O, Solca N, Lemaire J, Maitre P, Crestoni ME, Fornarini S. 2005. Protonation sites of isolated fluorobenzene revealed by IR spectroscopy in me fingerprint range. J Phys Chem 109:7881-7887.
-
(2005)
J Phys Chem
, vol.109
, pp. 7881-7887
-
-
Dopfer, O.1
Solca, N.2
Lemaire, J.3
Maitre, P.4
Crestoni, M.E.5
Fornarini, S.6
-
95
-
-
0040437344
-
How closely related are the effective and real temperatures
-
Drahos L, Vekey K. 1999. How closely related are the effective and real temperatures. J Mass Spectrom 34:79-84.
-
(1999)
J Mass Spectrom
, vol.34
, pp. 79-84
-
-
Drahos, L.1
Vekey, K.2
-
96
-
-
0242410117
-
Entropy evaluation using the kinetic method: Is it feasible?
-
Drahos L, Vekey K. 2003. Entropy evaluation using the kinetic method: Is it feasible? J Mass Spectrom 38:1025-1042.
-
(2003)
J Mass Spectrom
, vol.38
, pp. 1025-1042
-
-
Drahos, L.1
Vekey, K.2
-
97
-
-
4544248417
-
Accuracy of enthalpy and entropy determination using the kinetic method: Are we approaching a consensus?
-
Drahos L, Peltz C, Vekey K. 2004. Accuracy of enthalpy and entropy determination using the kinetic method: Are we approaching a consensus? J Mass Spectrom 38:1016-1024.
-
(2004)
J Mass Spectrom
, vol.38
, pp. 1016-1024
-
-
Drahos, L.1
Peltz, C.2
Vekey, K.3
-
98
-
-
0000212427
-
Ab initio statistical thermodynamic model for the computation of third law entropies
-
East ALL, Radom ML. 1997. Ab initio statistical thermodynamic model for the computation of third law entropies. J Chem Phys 106:6655-6674.
-
(1997)
J Chem Phys
, vol.106
, pp. 6655-6674
-
-
East, A.L.L.1
Radom, M.L.2
-
99
-
-
0030801647
-
Entropies and free energies of protonation and proton transfer reactions
-
East ALL, Smith BJ, Radom L. 1997. Entropies and free energies of protonation and proton transfer reactions. J Am Chem Soc 119:9014-9020.
-
(1997)
J Am Chem Soc
, vol.119
, pp. 9014-9020
-
-
East, A.L.L.1
Smith, B.J.2
Radom, L.3
-
100
-
-
27144469888
-
Density functional theory study of the hydrogen bond interaction between lactones lactams and methanol
-
El Firdoussi A, Esseffar M, Bouab W, Abboud JLM, Mo O, Yanez M, Ruasse MF. 2005. Density functional theory study of the hydrogen bond interaction between lactones lactams and methanol. J Phys Chem A 109:9141-9148.
-
(2005)
J Phys Chem A
, vol.109
, pp. 9141-9148
-
-
El Firdoussi, A.1
Esseffar, M.2
Bouab, W.3
Abboud, J.L.M.4
Mo, O.5
Yanez, M.6
Ruasse, M.F.7
-
101
-
-
0034695372
-
Microcanonical analysis of the kinetic method. The meaning of the "effective temperature
-
Ervin KM. 2000. Microcanonical analysis of the kinetic method. The meaning of the "effective temperature". Int J Mass Spectrom 195/196:271-284.
-
(2000)
Int J Mass Spectrom
, vol.195-196
, pp. 271-284
-
-
Ervin, K.M.1
-
102
-
-
0035246253
-
Experimental techniques in gas phase ion thermochemistry
-
Ervin KM. 2001. Experimental techniques in gas phase ion thermochemistry. Chem Rev 101:391-444.
-
(2001)
Chem Rev
, vol.101
, pp. 391-444
-
-
Ervin, K.M.1
-
103
-
-
0000222120
-
Microcanonical analysis of the kinetic method. The meaning of the "apparent entropy
-
Ervin KM. 2002. Microcanonical analysis of the kinetic method. The meaning of the "apparent entropy". J Am Soc Mass Spectrom 13:435-452.
-
(2002)
J Am Soc Mass Spectrom
, vol.13
, pp. 435-452
-
-
Ervin, K.M.1
-
104
-
-
4544324083
-
Systematic and random errors in ion affinities and activation entropies from the extended kinetic method
-
Ervin KM, Armentrout PB. 2004. Systematic and random errors in ion affinities and activation entropies from the extended kinetic method. J Mass Spectrom 39:1004-1015.
-
(2004)
J Mass Spectrom
, vol.39
, pp. 1004-1015
-
-
Ervin, K.M.1
Armentrout, P.B.2
-
105
-
-
0036428846
-
Nitroderivatives of pyrrole, furan and 1H-tetrazole: Ring or nitro bases?
-
Esseffar M, Quintanilla E, Davalos JZ, Abbound JLM, Mo O, Yanez M. 2002. Nitroderivatives of pyrrole, furan and 1H-tetrazole: Ring or nitro bases? New J Chem 26:1567-1574.
-
(2002)
New J Chem
, vol.26
, pp. 1567-1574
-
-
Esseffar, M.1
Quintanilla, E.2
Davalos, J.Z.3
Abbound, J.L.M.4
Mo, O.5
Yanez, M.6
-
108
-
-
45149144006
-
-
4 and NO. Chem Phys Lett 156:319-322.
-
4 and NO. Chem Phys Lett 156:319-322.
-
-
-
-
109
-
-
17444429964
-
+ and the elimination of methane from metastable metyhoxymediyl cation
-
+ and the elimination of methane from metastable metyhoxymediyl cation. Eur J Mass Spectrom 10:747-754.
-
(2004)
Eur J Mass Spectrom
, vol.10
, pp. 747-754
-
-
Fridgen, T.D.1
Holmes, J.L.2
-
110
-
-
0037168361
-
Experimental determination of activation energies for gas-phase ethyl and n-propyl cation transfer reactions
-
Fridgen TD, McMahon TB. 2002. Experimental determination of activation energies for gas-phase ethyl and n-propyl cation transfer reactions. J Phys Chem A 106:9648-9654.
-
(2002)
J Phys Chem A
, vol.106
, pp. 9648-9654
-
-
Fridgen, T.D.1
McMahon, T.B.2
-
111
-
-
0037421826
-
Enthalpy barriers for asymmetric SN2 alkyl cation transfer reactions between neutral and protonated alcohols
-
Fridgen TD, McMahon TB. 2003. Enthalpy barriers for asymmetric SN2 alkyl cation transfer reactions between neutral and protonated alcohols. J Phys Chem A 107:668-675.
-
(2003)
J Phys Chem A
, vol.107
, pp. 668-675
-
-
Fridgen, T.D.1
McMahon, T.B.2
-
112
-
-
0035912416
-
Direct experimental determination of the energy barriers for methyl cation transfer in the reactions of methanol with protonated methanol, protonated acetonitrile and protonated acethaldehyde: A low pressure FTICR study
-
Fridgen TD, Keller JD, McMahon TB. 2001. Direct experimental determination of the energy barriers for methyl cation transfer in the reactions of methanol with protonated methanol, protonated acetonitrile and protonated acethaldehyde: A low pressure FTICR study. J Phys Chem A 105:3816-3824.
-
(2001)
J Phys Chem A
, vol.105
, pp. 3816-3824
-
-
Fridgen, T.D.1
Keller, J.D.2
McMahon, T.B.3
-
113
-
-
84983089459
-
Correlation analysis of acidity and basicity: From the solution to the gas phase
-
Gal JF, Maria PC. 1990. Correlation analysis of acidity and basicity: From the solution to the gas phase. Prog Phys Org Chem 17:159-238.
-
(1990)
Prog Phys Org Chem
, vol.17
, pp. 159-238
-
-
Gal, J.F.1
Maria, P.C.2
-
114
-
-
0034910836
-
Thermochemical aspects of proton transfer in the gas phase
-
Gal JF, Maria PC, Raczynska ED. 2001. Thermochemical aspects of proton transfer in the gas phase. J Mass Spectrom 36:699-716.
-
(2001)
J Mass Spectrom
, vol.36
, pp. 699-716
-
-
Gal, J.F.1
Maria, P.C.2
Raczynska, E.D.3
-
116
-
-
0034718630
-
Towards an unified hydrogen bond theory
-
Gilli G, Gilli P. 2000. Towards an unified hydrogen bond theory. J Mol Struct 552:1-15.
-
(2000)
J Mol Struct
, vol.552
, pp. 1-15
-
-
Gilli, G.1
Gilli, P.2
-
117
-
-
0001983024
-
Ab initio study on the thermochemistry of vinyl radical and cation
-
Glukhovtsev MN, Bach RD. 1998. Ab initio study on the thermochemistry of vinyl radical and cation. Chem Phys Lett 286:51-55.
-
(1998)
Chem Phys Lett
, vol.286
, pp. 51-55
-
-
Glukhovtsev, M.N.1
Bach, R.D.2
-
118
-
-
0002512437
-
Is the most stable gas-phase isomer of the benzenium cation a face-protonated π-complex?
-
Glukhovtsev MN, Pross A, Nicolaides A, Radom L. 1995. Is the most stable gas-phase isomer of the benzenium cation a face-protonated π-complex? J Chem Soc Chem Commun 2347-2348.
-
(1995)
J Chem Soc Chem Commun
, pp. 2347-2348
-
-
Glukhovtsev, M.N.1
Pross, A.2
Nicolaides, A.3
Radom, L.4
-
119
-
-
35448935906
-
Energies and potential energy surfaces: Theoretical methods
-
Gross ML, Caprioli RM, Armentrout P editors, Amsterdam: Elsevier, pp
-
Gordon MS. 2003. Energies and potential energy surfaces: Theoretical methods. In: Gross ML, Caprioli RM, Armentrout P (editors). Encyclopedia of mass spectrometry, Vol. 1. Amsterdam: Elsevier, pp. 47-55.
-
(2003)
Encyclopedia of mass spectrometry
, vol.1
, pp. 47-55
-
-
Gordon, M.S.1
-
120
-
-
84989040050
-
Kinetic and thermodynamic considerations of the bracketing method: Entropy driven proton transfer reactions in a Fourier transform mass spectrometer
-
Gorman GS, Amster IJ. 1993. Kinetic and thermodynamic considerations of the bracketing method: Entropy driven proton transfer reactions in a Fourier transform mass spectrometer. Org Mass Spectrom 28:1602-1607.
-
(1993)
Org Mass Spectrom
, vol.28
, pp. 1602-1607
-
-
Gorman, G.S.1
Amster, I.J.2
-
121
-
-
9244223097
-
Entropy changes in dissociation of proton bound complexes: A variational RRKM study
-
Grabowy JAD, Mayer PM. 2004. Entropy changes in dissociation of proton bound complexes: A variational RRKM study. J Phys Chem A 108: 9726-9732.
-
(2004)
J Phys Chem A
, vol.108
, pp. 9726-9732
-
-
Grabowy, J.A.D.1
Mayer, P.M.2
-
122
-
-
33745226213
-
Predicting ion rearrangement reactions: The energetics of the internal SN2 reaction in gas-phase proton bond molecular pairs
-
Grabowy JAD, Mayer PM. 2005. Predicting ion rearrangement reactions: The energetics of the internal SN2 reaction in gas-phase proton bond molecular pairs. Can J Chem 83:1864-1871.
-
(2005)
Can J Chem
, vol.83
, pp. 1864-1871
-
-
Grabowy, J.A.D.1
Mayer, P.M.2
-
124
-
-
35448987600
-
-
Gross ML, Caprioli RM. 2005. In: Nibbering NMM, editor The encyclopedia of mass spectrometry. 4: Fundamentals of and application to organic (and organometallic) compounds. Amsterdam: Elsevier.
-
Gross ML, Caprioli RM. 2005. In: Nibbering NMM, editor The encyclopedia of mass spectrometry. Vol. 4: Fundamentals of and application to organic (and organometallic) compounds. Amsterdam: Elsevier.
-
-
-
-
125
-
-
0035921577
-
Use of DFT methods for the calculation of the entropy of gas phase organic molecules: An examination of the quality of results from a simple approach
-
Guthrie JP 2001. Use of DFT methods for the calculation of the entropy of gas phase organic molecules: An examination of the quality of results from a simple approach. J Phys Chem A 105:8495-8499.
-
(2001)
J Phys Chem A
, vol.105
, pp. 8495-8499
-
-
Guthrie, J.P.1
-
126
-
-
0037213122
-
Protonation thermochemistry of β-alanine. An evaluation of proton affinities and entropies determined by the extended kinetic method
-
Hahn IS, Wesdemiotis C. 2003. Protonation thermochemistry of β-alanine. An evaluation of proton affinities and entropies determined by the extended kinetic method. Int J Mass Spectrom 222:465-479.
-
(2003)
Int J Mass Spectrom
, vol.222
, pp. 465-479
-
-
Hahn, I.S.1
Wesdemiotis, C.2
-
127
-
-
0001858813
-
Heats of formation of gas phase ions calculated by composite ab initio procedures
-
Hammerum S. 1997. Heats of formation of gas phase ions calculated by composite ab initio procedures. Int J Mass Spectrom Ion Proc 165/166:63-69.
-
(1997)
Int J Mass Spectrom Ion Proc
, vol.165-166
, pp. 63-69
-
-
Hammerum, S.1
-
128
-
-
0000980982
-
Heats of formation and proton affinities by the G3 method
-
Hammerum S. 1999. Heats of formation and proton affinities by the G3 method. Chem Phys Lett 300:529-532.
-
(1999)
Chem Phys Lett
, vol.300
, pp. 529-532
-
-
Hammerum, S.1
-
129
-
-
0033618112
-
The proton affinities of imines and the heats of formation of immonium ions investigated with composite ab initio methods
-
Hammerum S, Solling TI. 1999. The proton affinities of imines and the heats of formation of immonium ions investigated with composite ab initio methods. J Am Chem Soc 121:6002-6009.
-
(1999)
J Am Chem Soc
, vol.121
, pp. 6002-6009
-
-
Hammerum, S.1
Solling, T.I.2
-
130
-
-
0002801544
-
The effect of structure upon the reaction of organic compounds. Benzene derivatives
-
Hammett LP. 1937. The effect of structure upon the reaction of organic compounds. Benzene derivatives. J Am Chem Soc 59:96-103.
-
(1937)
J Am Chem Soc
, vol.59
, pp. 96-103
-
-
Hammett, L.P.1
-
132
-
-
0001588558
-
The gas phase basicities and proton affinities of amino acids and peptides
-
Harrison AG. 1997. The gas phase basicities and proton affinities of amino acids and peptides. Mass Spectrom Rev 16:201-217.
-
(1997)
Mass Spectrom Rev
, vol.16
, pp. 201-217
-
-
Harrison, A.G.1
-
133
-
-
0033020531
-
Linear free energy correlations in mass spectrometry
-
Harrison AG. 1999. Linear free energy correlations in mass spectrometry. J Mass Spectrom 34:577-589.
-
(1999)
J Mass Spectrom
, vol.34
, pp. 577-589
-
-
Harrison, A.G.1
-
134
-
-
0035837964
-
C-H⋯X hydrogen bonds of acetylene, ethylene and ethane with first- and second-row hydrides
-
Hartmann M, Westmore SD, Radom L. 2001. C-H⋯X hydrogen bonds of acetylene, ethylene and ethane with first- and second-row hydrides. J Phys Chem A 105:4470-4479.
-
(2001)
J Phys Chem A
, vol.105
, pp. 4470-4479
-
-
Hartmann, M.1
Westmore, S.D.2
Radom, L.3
-
135
-
-
1542779656
-
Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations
-
Hnizdo V, Fedorowicz A, Singh H, Demchuk E. 2003. Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations. J Comput Chem 24:1172-1183.
-
(2003)
J Comput Chem
, vol.24
, pp. 1172-1183
-
-
Hnizdo, V.1
Fedorowicz, A.2
Singh, H.3
Demchuk, E.4
-
136
-
-
35448960275
-
The correlation of thermochemical data
-
Gross ML, Caprioli RM, Armentrout P editors, Amsterdam: Elsevier, pp
-
Holmes JL. 2003. The correlation of thermochemical data. In: Gross ML, Caprioli RM, Armentrout P (editors). Encyclopedia of mass spectrometry, Vol. 1. Amsterdam: Elsevier, pp. 434-440.
-
(2003)
Encyclopedia of mass spectrometry
, vol.1
, pp. 434-440
-
-
Holmes, J.L.1
-
137
-
-
0001751340
-
Toward a general scheme for estimating the heats of formation of organic ions in the gas-phase. Part II. The effect of substitution at the charge bearing sites
-
Holmes JL, Lossing FP. 1982. Toward a general scheme for estimating the heats of formation of organic ions in the gas-phase. Part II. The effect of substitution at the charge bearing sites. Can J Chem 60:2365-2371.
-
(1982)
Can J Chem
, vol.60
, pp. 2365-2371
-
-
Holmes, J.L.1
Lossing, F.P.2
-
138
-
-
84989135001
-
Ionization energies of homologous organic compounds and correlation witii molecular size
-
Holmes JL, Lossing FP. 1991. Ionization energies of homologous organic compounds and correlation witii molecular size. Org Mass Spectrom 26:537-541.
-
(1991)
Org Mass Spectrom
, vol.26
, pp. 537-541
-
-
Holmes, J.L.1
Lossing, F.P.2
-
139
-
-
0002533835
-
Toward a general scheme for estimating the heats of formation of organic ions in the gas-phase
-
Holmes JL, Fingas M, Lossing FP. 1981. Toward a general scheme for estimating the heats of formation of organic ions in the gas-phase. Part I. Odd-electron cations. Can J Chem 59:80-93.
-
(1981)
Part I. Odd-electron cations. Can J Chem
, vol.59
, pp. 80-93
-
-
Holmes, J.L.1
Fingas, M.2
Lossing, F.P.3
-
140
-
-
0032366914
-
Evaluated gas phase basicities and proton affinities of molecules: An update
-
Hunter EP, Lias SG. 1998. Evaluated gas phase basicities and proton affinities of molecules: An update. J Phys Chem Ref Data 27:413-656.
-
(1998)
J Phys Chem Ref Data
, vol.27
, pp. 413-656
-
-
Hunter, E.P.1
Lias, S.G.2
-
142
-
-
0003564791
-
Extracting thermochemical information from ab initio data
-
Minas da Piedade ME, editor, Kluwer Academic Publishers, Dordrecht. pp
-
Irikura KK. 1999. Extracting thermochemical information from ab initio data. In: Minas da Piedade ME, editor. Energetics of stable molecules and reactive intermediates. Kluwer Academic Publishers, Dordrecht. pp. 353-372.
-
(1999)
Energetics of stable molecules and reactive intermediates
, pp. 353-372
-
-
Irikura, K.K.1
-
143
-
-
25844501659
-
Uncertainties in scaling factors for ab initio vibrational frequencies
-
Irikura KK, Johnson RD III, Kacker RN. 2005. Uncertainties in scaling factors for ab initio vibrational frequencies. J Phys Chem A 109:8430-8437.
-
(2005)
J Phys Chem A
, vol.109
, pp. 8430-8437
-
-
Irikura, K.K.1
Johnson III, R.D.2
Kacker, R.N.3
-
144
-
-
33749605999
-
Estimate of the energy of intramolecular hydrogen bonds
-
Jablonsky M, Kaszmarek A, Sadlej AJ. 2006. Estimate of the energy of intramolecular hydrogen bonds. J Phys Chem A 110:10890-10898.
-
(2006)
J Phys Chem A
, vol.110
, pp. 10890-10898
-
-
Jablonsky, M.1
Kaszmarek, A.2
Sadlej, A.J.3
-
147
-
-
0029640188
-
On the number of water molecules necessary to stabilize the glycine zwitterion
-
Jenssen JH, Gordon MS. 1995. On the number of water molecules necessary to stabilize the glycine zwitterion. J Am Chem Soc 117:8159-8170.
-
(1995)
J Am Chem Soc
, vol.117
, pp. 8159-8170
-
-
Jenssen, J.H.1
Gordon, M.S.2
-
148
-
-
0034821221
-
Salt bridge stabilization of charged zwitterionic arginine aggregates in the gas-phase
-
Julian RR, Hodyss R, Beauchamp JL. 2001. Salt bridge stabilization of charged zwitterionic arginine aggregates in the gas-phase. J Am Chem Soc 123:3577-3583.
-
(2001)
J Am Chem Soc
, vol.123
, pp. 3577-3583
-
-
Julian, R.R.1
Hodyss, R.2
Beauchamp, J.L.3
-
149
-
-
33344455566
-
The proton affinities of saturated and unsaturated heterocyclic molecules
-
Kabli S, van Beelen ESE, Ingemann S, Henriksen L, Hammerum S. 2006. The proton affinities of saturated and unsaturated heterocyclic molecules. Int J Mass Spectrom 249-250:370-378.
-
(2006)
Int J Mass Spectrom
, vol.249-250
, pp. 370-378
-
-
Kabli, S.1
van Beelen, E.S.E.2
Ingemann, S.3
Henriksen, L.4
Hammerum, S.5
-
150
-
-
0001653649
-
Pulsed electron high pressure mass spectrometer
-
Farrar JM, Saunders W, editors, New York: John Wiley & Sons. pp
-
Kebarle P. 1988. Pulsed electron high pressure mass spectrometer. In: Farrar JM, Saunders W, editors. Techniques for the study of ion-molecule reactions. New York: John Wiley & Sons. pp. 221-286.
-
(1988)
Techniques for the study of ion-molecule reactions
, pp. 221-286
-
-
Kebarle, P.1
-
151
-
-
35449007981
-
Ion-molecule equilibria at high pressure
-
Gross ML, Caprioli RM, Armentrout P editors, Amsterdam: Elsevier, pp
-
Kebarle P. 2003. Ion-molecule equilibria at high pressure. In: Gross ML, Caprioli RM, Armentrout P (editors). Encyclopedia of mass spectrometry, Vol. 1. Amsterdam: Elsevier, pp. 319-338.
-
(2003)
Encyclopedia of mass spectrometry
, vol.1
, pp. 319-338
-
-
Kebarle, P.1
-
152
-
-
0242454162
-
Electron affinities and electron transfer reactions
-
Kebarle P, Chowdhury S. 1987. Electron affinities and electron transfer reactions. Chem Rev 87:513-534.
-
(1987)
Chem Rev
, vol.87
, pp. 513-534
-
-
Kebarle, P.1
Chowdhury, S.2
-
153
-
-
35448980656
-
Low-pressure ion-molecule equilibrium
-
Gross ML, Caprioli RM, Armentrout P editors, Amsterdam: Elsevier, pp
-
Kellersberger KA, Dearden DV. 2003. Low-pressure ion-molecule equilibrium. In: Gross ML, Caprioli RM, Armentrout P (editors). Encyclopedia of mass spectrometry, Vol. 1. Amsterdam: Elsevier, pp. 338-345.
-
(2003)
Encyclopedia of mass spectrometry
, vol.1
, pp. 338-345
-
-
Kellersberger, K.A.1
Dearden, D.V.2
-
154
-
-
33845183440
-
+ potential energy surface
-
+ potential energy surface. J Am Chem Soc 111:3479-3480.
-
(1989)
J Am Chem Soc
, vol.111
, pp. 3479-3480
-
-
Koch, W.1
Liu, B.2
-
155
-
-
33847798713
-
Enthalpy-entropy compensation. 1. Some fundamental statistical problems associated with the analysis of van't Hoff and Arrhenius data
-
Krug RR, Hunter WG, Grieger RA. 1976. Enthalpy-entropy compensation. 1. Some fundamental statistical problems associated with the analysis of van't Hoff and Arrhenius data. J Phys Chem 80:2335-2341.
-
(1976)
J Phys Chem
, vol.80
, pp. 2335-2341
-
-
Krug, R.R.1
Hunter, W.G.2
Grieger, R.A.3
-
156
-
-
11944272017
-
Mass spectrometry of alkyl benzenes and related compounds Part I
-
Kuck D. 1990a. Mass spectrometry of alkyl benzenes and related compounds Part I. Mass Spectrom Rev 9:187-233.
-
(1990)
Mass Spectrom Rev
, vol.9
, pp. 187-233
-
-
Kuck, D.1
-
157
-
-
11944257456
-
Mass spectrometry of alkyl benzenes and related compounds Part II
-
Kuck D. 1990b. Mass spectrometry of alkyl benzenes and related compounds Part II. Mass Spectrom Rev 9:583-630.
-
(1990)
Mass Spectrom Rev
, vol.9
, pp. 583-630
-
-
Kuck, D.1
-
158
-
-
33748303004
-
Tropylium and related ions
-
Gross ML, Caprioli RM, Nibbering NMM editors, Amsterdam: Elsevier
-
Kuck D. 2005. Tropylium and related ions. In: Gross ML, Caprioli RM, Nibbering NMM (editors). The encyclopedia of mass spectrometry. Vol 4. Amsterdam: Elsevier.
-
(2005)
The encyclopedia of mass spectrometry
, vol.4
-
-
Kuck, D.1
-
159
-
-
33845553537
-
Formation, thermochemistry, and relative stabilities of proton-bound dimers of oxygen n-donor bases from ion cyclotron resonance solvent-exchange equilibrium measurements
-
Larson JW, McMahon TB. 1982. Formation, thermochemistry, and relative stabilities of proton-bound dimers of oxygen n-donor bases from ion cyclotron resonance solvent-exchange equilibrium measurements. J Am Chem Soc 104:6255-6261.
-
(1982)
J Am Chem Soc
, vol.104
, pp. 6255-6261
-
-
Larson, J.W.1
McMahon, T.B.2
-
160
-
-
33845379206
-
Fluoride and chloride affinities of main groups oxides, fluorides, oxofluorides and alkyls. Quantitative scales of Lewis acidities from ion cyclotron resonance halide exchange equilibria
-
Larson JW, McMahon TB. 1985. Fluoride and chloride affinities of main groups oxides, fluorides, oxofluorides and alkyls. Quantitative scales of Lewis acidities from ion cyclotron resonance halide exchange equilibria. J Am Chem Soc 107:766-773.
-
(1985)
J Am Chem Soc
, vol.107
, pp. 766-773
-
-
Larson, J.W.1
McMahon, T.B.2
-
161
-
-
0034726897
-
The theoretical basis of the kinetic method from the point of view of finite heat bath
-
Laskin J, Futrell JH. 2000. The theoretical basis of the kinetic method from the point of view of finite heat bath. J Phys Chem A 104:8829-8837.
-
(2000)
J Phys Chem A
, vol.104
, pp. 8829-8837
-
-
Laskin, J.1
Futrell, J.H.2
-
162
-
-
0001840852
-
Directional character, strength and nature of the hydrogen bond in gas-phase dimmers
-
Legon AC, Millen DJ. 1987. Directional character, strength and nature of the hydrogen bond in gas-phase dimmers. Acc chem Res 20:39-46.
-
(1987)
Acc chem Res
, vol.20
, pp. 39-46
-
-
Legon, A.C.1
Millen, D.J.2
-
164
-
-
84914751407
-
Evaluated gas phase basicities and proton affinities of molecules; heats of formation of protonated molecules
-
Lias SG, Liebman JF, Levin RD. 1984. Evaluated gas phase basicities and proton affinities of molecules; heats of formation of protonated molecules. J Phys Chem Ref Data 13:695-808.
-
(1984)
J Phys Chem Ref Data
, vol.13
, pp. 695-808
-
-
Lias, S.G.1
Liebman, J.F.2
Levin, R.D.3
-
165
-
-
0001998551
-
Gas phase ion and neutral thermochemistry
-
Lias SG, Bartmess JE, Liebman JF, Holmes JL, Levin RD, Mallard WG. 1988. Gas phase ion and neutral thermochemistry. J Phys Chem Ref Data 17 (Suppl. 1).
-
(1988)
J Phys Chem Ref Data
, vol.17
, Issue.SUPPL. 1
-
-
Lias, S.G.1
Bartmess, J.E.2
Liebman, J.F.3
Holmes, J.L.4
Levin, R.D.5
Mallard, W.G.6
-
168
-
-
0035296992
-
Isokinetic relationship, isoequilibrium relationship and enthalpy-entropy compensation
-
Liu L, Guo QX. 2001. Isokinetic relationship, isoequilibrium relationship and enthalpy-entropy compensation. Chem Rev 101:673-695.
-
(2001)
Chem Rev
, vol.101
, pp. 673-695
-
-
Liu, L.1
Guo, Q.X.2
-
169
-
-
0038390449
-
Robust and affordable multicoefficient methods for thermochemistry and thermochemical kinetics: The MCCM/3 suite and SAC/3
-
Lynch BJ, Truhlar DG. 2003. Robust and affordable multicoefficient methods for thermochemistry and thermochemical kinetics: The MCCM/3 suite and SAC/3. J Phys Chem A 107:3898-3906.
-
(2003)
J Phys Chem A
, vol.107
, pp. 3898-3906
-
-
Lynch, B.J.1
Truhlar, D.G.2
-
170
-
-
84962339757
-
Quest for the origin of basicity: Initial vs final state effects in neutral nitrogen bases
-
Maksic ZB, Vianello R. 2002. Quest for the origin of basicity: Initial vs final state effects in neutral nitrogen bases. J Phys Chem A 106:419-430.
-
(2002)
J Phys Chem A
, vol.106
, pp. 419-430
-
-
Maksic, Z.B.1
Vianello, R.2
-
172
-
-
0001750657
-
Towards standard methods for benchmark quality ab initio thermochemistry-W1 and W2 theory
-
Martin JML, de Oliveira G. 1999. Towards standard methods for benchmark quality ab initio thermochemistry-W1 and W2 theory. J Chem Phys 111:1843-1856.
-
(1999)
J Chem Phys
, vol.111
, pp. 1843-1856
-
-
Martin, J.M.L.1
de Oliveira, G.2
-
173
-
-
0001519511
-
The relation of core-level binding energy shifts to proton affinity and Lewis basicity
-
Martin RL, Shirley DA. 1974. The relation of core-level binding energy shifts to proton affinity and Lewis basicity. J Am Chem Soc 96:5299-5304.
-
(1974)
J Am Chem Soc
, vol.96
, pp. 5299-5304
-
-
Martin, R.L.1
Shirley, D.A.2
-
174
-
-
0002362375
-
Carbon-hydrogen bond dissociation energies in alkylbenzenes. Proton affinities of the radicals and the absolute proton affinity scale
-
Mautner M. 1982. Carbon-hydrogen bond dissociation energies in alkylbenzenes. Proton affinities of the radicals and the absolute proton affinity scale. J Am Chem Soc 104:5-10.
-
(1982)
J Am Chem Soc
, vol.104
, pp. 5-10
-
-
Mautner, M.1
-
175
-
-
0008028137
-
+⋯O bonds. Correlations with proton affinity. Deviations due to structural effects
-
+⋯O bonds. Correlations with proton affinity. Deviations due to structural effects. J Am Chem Soc 106:1257-1264.
-
(1984)
J Am Chem Soc
, vol.106
, pp. 1257-1264
-
-
Mautner, M.1
-
176
-
-
0037783376
-
The proton affinity scale, and effects of ion structure and solvation
-
Mautner M. 2003. The proton affinity scale, and effects of ion structure and solvation. Int J Mass Spectrom 227:525-554.
-
(2003)
Int J Mass Spectrom
, vol.227
, pp. 525-554
-
-
Mautner, M.1
-
177
-
-
13344282706
-
The ionic hydrogen bond
-
Mautner M. 2005. The ionic hydrogen bond. Chem Rev 105:213-284.
-
(2005)
Chem Rev
, vol.105
, pp. 213-284
-
-
Mautner, M.1
-
178
-
-
0000101525
-
+⋯S bonds. The correlations with proton affinity. Mutual effects of weak and strong ligands in mixed clusters
-
+⋯S bonds. The correlations with proton affinity. Mutual effects of weak and strong ligands in mixed clusters. J Phys Chem 89:5222-5225.
-
(1985)
J Phys Chem
, vol.89
, pp. 5222-5225
-
-
Mautner, M.1
Sieck, L.W.2
-
179
-
-
0000273461
-
Proton affinity ladders from variable temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range
-
Mautner M, Sieck LW. 1991a. Proton affinity ladders from variable temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range. J Am Chem Soc 113:4448-4460.
-
(1991)
J Am Chem Soc
, vol.113
, pp. 4448-4460
-
-
Mautner, M.1
Sieck, L.W.2
-
180
-
-
0001512973
-
Equilibrium studies by pulsed high pressure mass spectrometry: A calibration and some pitfalls and solutions
-
Mautner M, Sieck LW. 1991b. Equilibrium studies by pulsed high pressure mass spectrometry: A calibration and some pitfalls and solutions. Int J Mass Spectrom Ion Proc 109:187-208.
-
(1991)
Int J Mass Spectrom Ion Proc
, vol.109
, pp. 187-208
-
-
Mautner, M.1
Sieck, L.W.2
-
182
-
-
0000589547
-
Unimolecular reactions of proton bound cluster ions: Competition between dissociation and isomerization in the memanol-acetonitrile dimer
-
Mayer PM. 1999. Unimolecular reactions of proton bound cluster ions: Competition between dissociation and isomerization in the memanol-acetonitrile dimer. J Phys Chem A 103:3687-3692.
-
(1999)
J Phys Chem A
, vol.103
, pp. 3687-3692
-
-
Mayer, P.M.1
-
183
-
-
0031593062
-
The effects of protonation on the structure, stability and thermochemistry of carbon-centered organic radicals
-
Mayer PM, Glukhovstev MN, Gauld JW, Radom L. 1997. The effects of protonation on the structure, stability and thermochemistry of carbon-centered organic radicals. J Am Chem Soc 119:12889-12895.
-
(1997)
J Am Chem Soc
, vol.119
, pp. 12889-12895
-
-
Mayer, P.M.1
Glukhovstev, M.N.2
Gauld, J.W.3
Radom, L.4
-
184
-
-
0000464312
-
the hindered rotor density of states interpolation function
-
McClurg RB, Flagan RC, Goddard WA III. 1997. the hindered rotor density of states interpolation function. J Chem Phys 106:6675-6680.
-
(1997)
J Chem Phys
, vol.106
, pp. 6675-6680
-
-
McClurg, R.B.1
Flagan, R.C.2
Goddard III, W.A.3
-
185
-
-
0014765716
-
A trapped ion analyzer cell for ion cyclotron resonance spectroscopy
-
McIver RT, Jr. 1970. A trapped ion analyzer cell for ion cyclotron resonance spectroscopy. Rev Sci Instrum 41:555-570.
-
(1970)
Rev Sci Instrum
, vol.41
, pp. 555-570
-
-
McIver Jr., R.T.1
-
186
-
-
0141491709
-
Proton affinity from dissociations of proton bound dimers
-
McLuckey SA, Cameron D, Cooks RG. 1981. Proton affinity from dissociations of proton bound dimers. J Am Chem Soc 103:1313-1317.
-
(1981)
J Am Chem Soc
, vol.103
, pp. 1313-1317
-
-
McLuckey, S.A.1
Cameron, D.2
Cooks, R.G.3
-
187
-
-
0005233571
-
High pressure mass spectrometry
-
Minas da Piedade ME, editor, Dordrecht: Kluwer Academic Publishers. pp
-
McMahon TB. 1999. High pressure mass spectrometry. In: Minas da Piedade ME, editor. Energetics of stable molecules and reactive intermediates. Dordrecht: Kluwer Academic Publishers. pp. 259-280.
-
(1999)
Energetics of stable molecules and reactive intermediates
, pp. 259-280
-
-
McMahon, T.B.1
-
188
-
-
33845379433
-
Bidging the gap. A continuous scale of gas-phase basicities from methane to water from pulsed electron beam high pressure mass spectrometry equilibria
-
McMahon TB, Kebarle P. 1985. Bidging the gap. A continuous scale of gas-phase basicities from methane to water from pulsed electron beam high pressure mass spectrometry equilibria. J Am Chem Soc 107:2612-2617.
-
(1985)
J Am Chem Soc
, vol.107
, pp. 2612-2617
-
-
McMahon, T.B.1
Kebarle, P.2
-
190
-
-
0345720252
-
Additivity methods in molecular polarizability
-
Miller KJ. 1990. Additivity methods in molecular polarizability. J Am Chem Soc 112:8533-8542.
-
(1990)
J Am Chem Soc
, vol.112
, pp. 8533-8542
-
-
Miller, K.J.1
-
191
-
-
0000039856
-
Further studies of the core binding energy-proton affinity correlation in molecules
-
Mills BE, Martin RL, Shirley DA. 1976. Further studies of the core binding energy-proton affinity correlation in molecules. J Am Chem Soc 98:2380-2385.
-
(1976)
J Am Chem Soc
, vol.98
, pp. 2380-2385
-
-
Mills, B.E.1
Martin, R.L.2
Shirley, D.A.3
-
192
-
-
0039701556
-
Gas-phase basicity and acidity trends in α,β-unsaturated amines phosphines and arsine
-
Mo O, Yanez M, Decouzon M, Gal JF, Maria PC, Guillemin J-C. 1999. Gas-phase basicity and acidity trends in α,β-unsaturated amines phosphines and arsine. J Am Chem Soc 121:4653-4663.
-
(1999)
J Am Chem Soc
, vol.121
, pp. 4653-4663
-
-
Mo, O.1
Yanez, M.2
Decouzon, M.3
Gal, J.F.4
Maria, P.C.5
Guillemin, J.-C.6
-
193
-
-
19944390233
-
Periodic trends in bond dissociation energies. A theoretical study
-
Mo O, Yanez M, Eckert-Maksic M, Maksic ZB, Alkorta I, Elguero J. 2005. Periodic trends in bond dissociation energies. A theoretical study. J Phys Chem 109:4359-4365.
-
(2005)
J Phys Chem
, vol.109
, pp. 4359-4365
-
-
Mo, O.1
Yanez, M.2
Eckert-Maksic, M.3
Maksic, Z.B.4
Alkorta, I.5
Elguero, J.6
-
194
-
-
0000714170
-
The gas phase basicities of 6-methylfulvene and 6,6-dimethylfulvene as determined by the thermo-kinetic method
-
Mormann M, Salpin JY, Kuck D. 1999. The gas phase basicities of 6-methylfulvene and 6,6-dimethylfulvene as determined by the thermo-kinetic method. Eur J Mass Spectrom 5:441-447.
-
(1999)
Eur J Mass Spectrom
, vol.5
, pp. 441-447
-
-
Mormann, M.1
Salpin, J.Y.2
Kuck, D.3
-
195
-
-
0034481045
-
Gas-phase basicities of the isomeric dihydroxybenzoic acids and gas-phase acidities of their radical cations
-
Mormann M, Bashir S, Derrick PJ, Kuck D. 2000. Gas-phase basicities of the isomeric dihydroxybenzoic acids and gas-phase acidities of their radical cations. J Am Soc Mass Spectrom 11:544-552.
-
(2000)
J Am Soc Mass Spectrom
, vol.11
, pp. 544-552
-
-
Mormann, M.1
Bashir, S.2
Derrick, P.J.3
Kuck, D.4
-
197
-
-
11644322114
-
Origin of the transition state on the free energy surface: Intramolecular proton transfer reaction of glycine in aqueous solution
-
Nagaoka M, Okuyama-Yoshida N, Yamabe T. 1998. Origin of the transition state on the free energy surface: Intramolecular proton transfer reaction of glycine in aqueous solution. J Phys Chem A 102:8202-8208.
-
(1998)
J Phys Chem A
, vol.102
, pp. 8202-8208
-
-
Nagaoka, M.1
Okuyama-Yoshida, N.2
Yamabe, T.3
-
199
-
-
0031014721
-
Gas-phase protonation of pyridine. A variable time neutralization-reionization and ab-initio study of pyridinium radicals
-
Nguyen VQ, Turecek F. 1997. Gas-phase protonation of pyridine. A variable time neutralization-reionization and ab-initio study of pyridinium radicals. J Mass Spectrom 32:55-63.
-
(1997)
J Mass Spectrom
, vol.32
, pp. 55-63
-
-
Nguyen, V.Q.1
Turecek, F.2
-
200
-
-
33748409455
-
Heats of formation from G2, G2(MP2) and G2(MP2,SVP) total energies
-
Nicolaides A, Rauk A, Glukhovtsev MN, Radom L. 1996. Heats of formation from G2, G2(MP2) and G2(MP2,SVP) total energies. J Phys Chem 100:17460-17464.
-
(1996)
J Phys Chem
, vol.100
, pp. 17460-17464
-
-
Nicolaides, A.1
Rauk, A.2
Glukhovtsev, M.N.3
Radom, L.4
-
201
-
-
0041349790
-
A kinetic analysis of collision experiments in triple quadrupole instruments. Validation of the kinetic method
-
Nielsen SB, Bojesen G. 1995. A kinetic analysis of collision experiments in triple quadrupole instruments. Validation of the kinetic method. Eur J Mass Spectrom 1:423-428.
-
(1995)
Eur J Mass Spectrom
, vol.1
, pp. 423-428
-
-
Nielsen, S.B.1
Bojesen, G.2
-
202
-
-
0003074426
-
Relationship between effective temperature of thermalized ions and ion source temperature
-
Norrman K, McMahon TB. 1998. Relationship between effective temperature of thermalized ions and ion source temperature. Int J Mass Spectrom 176:87-97.
-
(1998)
Int J Mass Spectrom
, vol.176
, pp. 87-97
-
-
Norrman, K.1
McMahon, T.B.2
-
203
-
-
0000279773
-
Proton affinity determinations using the kinetic method in an ion trap mass spectrometer
-
Nourse BD, Cooks RG. 1991. Proton affinity determinations using the kinetic method in an ion trap mass spectrometer. Int J Mass Spectrom Ion Proc 106:249-272.
-
(1991)
Int J Mass Spectrom Ion Proc
, vol.106
, pp. 249-272
-
-
Nourse, B.D.1
Cooks, R.G.2
-
204
-
-
0035603481
-
Ion rearrangement at the beginning of cluster formation: Methyl substitution effects on the internal SN2 reaction in the proton bound dimers of acetonitrile and alcohols
-
Ochran RA, Mayer PM. 2001. Ion rearrangement at the beginning of cluster formation: Methyl substitution effects on the internal SN2 reaction in the proton bound dimers of acetonitrile and alcohols. Eur J Mass Spectrom 7:267-277.
-
(2001)
Eur J Mass Spectrom
, vol.7
, pp. 267-277
-
-
Ochran, R.A.1
Mayer, P.M.2
-
205
-
-
0034269447
-
Unimolecular reactions of proton bound cluster ions: Competition between dissociation and isomerization in the ethanol-acetonitrile dimers
-
Ochran RA, Annamali A, Mayer PM. 2000. Unimolecular reactions of proton bound cluster ions: Competition between dissociation and isomerization in the ethanol-acetonitrile dimers. J Phys Chem A 104:8505-8511.
-
(2000)
J Phys Chem A
, vol.104
, pp. 8505-8511
-
-
Ochran, R.A.1
Annamali, A.2
Mayer, P.M.3
-
206
-
-
0038269037
-
A complete basis set model chemistry. V. Extensions to six or more heavy atoms
-
Ochterski JW, Petersson GA, Montgomery JA, Jr. 1996. A complete basis set model chemistry. V. Extensions to six or more heavy atoms. J Chem Phys 104:2598-2619.
-
(1996)
J Chem Phys
, vol.104
, pp. 2598-2619
-
-
Ochterski, J.W.1
Petersson, G.A.2
Montgomery Jr., J.A.3
-
207
-
-
21844457685
-
Fragmentation pathways of protonated peptides
-
Paizs B, Suhai S. 2005. Fragmentation pathways of protonated peptides. Mass Spectrom Rev 24:508-548.
-
(2005)
Mass Spectrom Rev
, vol.24
, pp. 508-548
-
-
Paizs, B.1
Suhai, S.2
-
208
-
-
0035826441
-
Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation and proton affinities
-
Parthiban S, Martin JML. 2001. Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation and proton affinities. J Chem Phys 114:6014-6029.
-
(2001)
J Chem Phys
, vol.114
, pp. 6014-6029
-
-
Parthiban, S.1
Martin, J.M.L.2
-
210
-
-
0038400135
-
Gas phase chemistry of NHxCly+ ions; 3. Structure, stability and reactivity of protonated trichloramine
-
Pepi F, Ricci A, Rosi M. 2003. Gas phase chemistry of NHxCly+ ions; 3. Structure, stability and reactivity of protonated trichloramine. J Phys Chem A 107:2085-2092.
-
(2003)
J Phys Chem A
, vol.107
, pp. 2085-2092
-
-
Pepi, F.1
Ricci, A.2
Rosi, M.3
-
211
-
-
23144458465
-
+ + PN: A proton transfer triple play
-
+ + PN: A proton transfer triple play. J Phys Chem A 109:6326-6334.
-
(2005)
J Phys Chem A
, vol.109
, pp. 6326-6334
-
-
Petrie, S.1
-
213
-
-
36849128173
-
Energy levels and thermodynamic functions for molecules with internal rotation
-
Pitzer KS, Gwinn W. 1942. Energy levels and thermodynamic functions for molecules with internal rotation. J Chem Phys 10:428-440.
-
(1942)
J Chem Phys
, vol.10
, pp. 428-440
-
-
Pitzer, K.S.1
Gwinn, W.2
-
214
-
-
33747116385
-
Competing rearrangement reactions in small pas-phase ionic complexes. The internal SN2 and nitro-nitrite rearrangements in nitroalkane proton-bound pairs
-
Poon C, Mayer PM. 2006. Competing rearrangement reactions in small pas-phase ionic complexes. The internal SN2 and nitro-nitrite rearrangements in nitroalkane proton-bound pairs. Int J Mass Spectrom 255-256:93-101.
-
(2006)
Int J Mass Spectrom
, vol.255-256
, pp. 93-101
-
-
Poon, C.1
Mayer, P.M.2
-
215
-
-
31544481866
-
Multilevel and density functional electronic structure calculations of proton affinities and gas-phase basicities involved in biological phosphoryl transfer
-
Range K, Silva-Lopez C, Moser A, York DM. 2006. Multilevel and density functional electronic structure calculations of proton affinities and gas-phase basicities involved in biological phosphoryl transfer. J Phys Chem A 110:791-797.
-
(2006)
J Phys Chem A
, vol.110
, pp. 791-797
-
-
Range, K.1
Silva-Lopez, C.2
Moser, A.3
York, D.M.4
-
216
-
-
33645094373
-
Proton affinity of five-membered heterocyclic amines: Assessment of computational procedures
-
Rao JS, Sastry GN. 2006. Proton affinity of five-membered heterocyclic amines: Assessment of computational procedures. Int J Quant Chem 106:1217-1224.
-
(2006)
Int J Quant Chem
, vol.106
, pp. 1217-1224
-
-
Rao, J.S.1
Sastry, G.N.2
-
217
-
-
30044440261
-
A high-pressure mass spectrometric and density functional theory investigation of the thermochemical properties and structure of protonated dimmers and trimers of glycine
-
Raspopov SA, McMahon TB. 2005. A high-pressure mass spectrometric and density functional theory investigation of the thermochemical properties and structure of protonated dimmers and trimers of glycine. J Mass Spectrom 40:1536-1545.
-
(2005)
J Mass Spectrom
, vol.40
, pp. 1536-1545
-
-
Raspopov, S.A.1
McMahon, T.B.2
-
218
-
-
0000135519
-
The ethyl radical: Photoionization and theoretical studies
-
Ruscic B, Berkowitz J, Pople LA. 1989. The ethyl radical: Photoionization and theoretical studies. J Chem Phys 91:114-121.
-
(1989)
J Chem Phys
, vol.91
, pp. 114-121
-
-
Ruscic, B.1
Berkowitz, J.2
Pople, L.A.3
-
219
-
-
0034604030
-
Proton affinity and protonation site of aniline. Energetic behavior and density functional reactivity indices
-
Russo N, Toscano M, Grand A, Mineva T. 2000. Proton affinity and protonation site of aniline. Energetic behavior and density functional reactivity indices. J Phys Chem 104:4017-4021.
-
(2000)
J Phys Chem
, vol.104
, pp. 4017-4021
-
-
Russo, N.1
Toscano, M.2
Grand, A.3
Mineva, T.4
-
220
-
-
0141497027
-
The gas-phase basicity and proton affinity of 1,3,5-cycloheptatriene. Energetics, structure and interconversion of dihydrotropylium ion
-
Salpin JY, Mormann M, Tortajada J, Nguyen MT, Kuck D. 2003. The gas-phase basicity and proton affinity of 1,3,5-cycloheptatriene. Energetics, structure and interconversion of dihydrotropylium ion. Eur J Mass Spectrom 9:361-376.
-
(2003)
Eur J Mass Spectrom
, vol.9
, pp. 361-376
-
-
Salpin, J.Y.1
Mormann, M.2
Tortajada, J.3
Nguyen, M.T.4
Kuck, D.5
-
221
-
-
33845377796
-
Theoretical studies of proton transfers
-
Scheiner S. 1985. Theoretical studies of proton transfers. Acc Chem Res 18:174-180.
-
(1985)
Acc Chem Res
, vol.18
, pp. 174-180
-
-
Scheiner, S.1
-
222
-
-
0003840283
-
Hydrogen bonding
-
New York: Oxford University Press
-
Scheiner S. 1997. Hydrogen bonding. A theoretical perspective. New York: Oxford University Press.
-
(1997)
A theoretical perspective
-
-
Scheiner, S.1
-
223
-
-
9244264439
-
Protonated benzene: A case for structural memory effects?
-
Schröeder D, Loos J, Schwarz H, Thissen R, Dutit O. 2004. Protonated benzene: A case for structural memory effects? J Phys Chem A 108:9931-9931.
-
(2004)
J Phys Chem A
, vol.108
, pp. 9931-9931
-
-
Schröeder, D.1
Loos, J.2
Schwarz, H.3
Thissen, R.4
Dutit, O.5
-
224
-
-
0011083273
-
Harmonic vibrational frequencies: An evaluation of Hartree-Fock, Moller-Plesset, quadratic configuration interaction, density functional theory and semiempirical scale factors
-
Scott AP, Radom L. 1996. Harmonic vibrational frequencies: An evaluation of Hartree-Fock, Moller-Plesset, quadratic configuration interaction, density functional theory and semiempirical scale factors. J Phys Chem 100:16502-16513.
-
(1996)
J Phys Chem
, vol.100
, pp. 16502-16513
-
-
Scott, A.P.1
Radom, L.2
-
227
-
-
0031250886
-
Gas-phase proton affinity and protonation entropy scale between acetaldehyde and methyl acetate. An experimental evaluation and comparative analysis
-
Sieck LW. 1997. Gas-phase proton affinity and protonation entropy scale between acetaldehyde and methyl acetate. An experimental evaluation and comparative analysis. J Phys Chem A 101:8140-8145.
-
(1997)
J Phys Chem A
, vol.101
, pp. 8140-8145
-
-
Sieck, L.W.1
-
228
-
-
0000252580
-
Core-photoelectron binding energies of gaseous glycine: Correlation with its proton affinity and gas phase acidity
-
Slaughter AR, Banna MS. 1988. Core-photoelectron binding energies of gaseous glycine: Correlation with its proton affinity and gas phase acidity. J Phys Chem 92:2165-2167.
-
(1988)
J Phys Chem
, vol.92
, pp. 2165-2167
-
-
Slaughter, A.R.1
Banna, M.S.2
-
229
-
-
0002584139
-
Ethylamine: The remarkable acid strengthening and base weakening effect of the acetylenic linkage. A comparison with ethylamine and methylamine
-
Smith BJ, Radom L. 1992. Ethylamine: The remarkable acid strengthening and base weakening effect of the acetylenic linkage. A comparison with ethylamine and methylamine. J Am Chem Soc 114:36-41.
-
(1992)
J Am Chem Soc
, vol.114
, pp. 36-41
-
-
Smith, B.J.1
Radom, L.2
-
230
-
-
0000666964
-
Assigning absolute value to proton affinities: A differentiation between competing scales
-
Smith BJ, Radom L. 1993. Assigning absolute value to proton affinities: A differentiation between competing scales. J Am Chem Soc 115:4885-4888.
-
(1993)
J Am Chem Soc
, vol.115
, pp. 4885-4888
-
-
Smith, B.J.1
Radom, L.2
-
231
-
-
4243447021
-
An evaluation of the performance of density functional theory, MP2, MP4, F4, G2(MP2) and G2 procedures in predicting gas phase proton affinities
-
Smith BJ, Radom L. 1994. An evaluation of the performance of density functional theory, MP2, MP4, F4, G2(MP2) and G2 procedures in predicting gas phase proton affinities. Chem Phys Lett 231:345-351.
-
(1994)
Chem Phys Lett
, vol.231
, pp. 345-351
-
-
Smith, B.J.1
Radom, L.2
-
232
-
-
10544251362
-
Calculation of proton affinities using the G2(MP2,SVP) procedure
-
Smith BJ, Radom L. 1995. Calculation of proton affinities using the G2(MP2,SVP) procedure. J Phys Chem 99:6468-6471.
-
(1995)
J Phys Chem
, vol.99
, pp. 6468-6471
-
-
Smith, B.J.1
Radom, L.2
-
233
-
-
27744547412
-
Interrelation between H-bond and pi-electron delocalisation
-
Sobczyk L, Grabowski SJ, Krygowski TM. 2005. Interrelation between H-bond and pi-electron delocalisation. Chem Rev 105:3515-3560.
-
(2005)
Chem Rev
, vol.105
, pp. 3515-3560
-
-
Sobczyk, L.1
Grabowski, S.J.2
Krygowski, T.M.3
-
234
-
-
0001493669
-
The ionic hydrogen bond and ion solvation. 3. Bonds involving cyanides. Correlations with proton affinities
-
Speller CV, Mautner M. 1985. The ionic hydrogen bond and ion solvation. 3. Bonds involving cyanides. Correlations with proton affinities. J Phys Chem 89:5217-5222.
-
(1985)
J Phys Chem
, vol.89
, pp. 5217-5222
-
-
Speller, C.V.1
Mautner, M.2
-
236
-
-
35448972412
-
Techniques for the preparation and study of cluster ions
-
Jenning K, editor, Dordrecht: Kluwer Academic Publisher. pp
-
Stace AJ. 1995. Techniques for the preparation and study of cluster ions. In: Jenning K, editor. Fundamental and applications of gas phase ion chemistry. Dordrecht: Kluwer Academic Publisher. pp. 381-400.
-
(1995)
Fundamental and applications of gas phase ion chemistry
, pp. 381-400
-
-
Stace, A.J.1
-
237
-
-
0000252143
-
Relationship of nitrogen lone pair interactions to thermodynamic parameters associated with amine basicities
-
Staley RH, Beauchamp JL. 1974. Relationship of nitrogen lone pair interactions to thermodynamic parameters associated with amine basicities. J Am Chem Soc 96:1604-1606.
-
(1974)
J Am Chem Soc
, vol.96
, pp. 1604-1606
-
-
Staley, R.H.1
Beauchamp, J.L.2
-
238
-
-
0041452769
-
Relationship between orbital ionisation energies and molecular properties. Proton affinities and photoelectron spectra of nitrile
-
Staley RH, Kleckner JE, Beauchamp JL. 1976. Relationship between orbital ionisation energies and molecular properties. Proton affinities and photoelectron spectra of nitrile. J Am Chem Soc 98:2081-2085.
-
(1976)
J Am Chem Soc
, vol.98
, pp. 2081-2085
-
-
Staley, R.H.1
Kleckner, J.E.2
Beauchamp, J.L.3
-
240
-
-
33748579571
-
Proton affinities of maingroup-elements hydrides and noble gases: Trends across the periodic table, structural effects and DFT validation
-
Swart M, Rösler E, Bickelhaupt FM. 2006. Proton affinities of maingroup-elements hydrides and noble gases: Trends across the periodic table, structural effects and DFT validation. J Comput Chem 27:1486-1493.
-
(2006)
J Comput Chem
, vol.27
, pp. 1486-1493
-
-
Swart, M.1
Rösler, E.2
Bickelhaupt, F.M.3
-
241
-
-
0000216836
-
Progress toward an absolute gas-phase proton affinity scale
-
Szulejko JE, McMahon TB. 1993. Progress toward an absolute gas-phase proton affinity scale. J Am Chem Soc 115:7839-7848.
-
(1993)
J Am Chem Soc
, vol.115
, pp. 7839-7848
-
-
Szulejko, J.E.1
McMahon, T.B.2
-
242
-
-
33846042684
-
The nature of variations of ammonia proton affinity in an Argon environment
-
Szymczak JJ, Urban J, Roszak S, Leszczynski J. 2006. The nature of variations of ammonia proton affinity in an Argon environment. J Phys Chem 110:13099-13105.
-
(2006)
J Phys Chem
, vol.110
, pp. 13099-13105
-
-
Szymczak, J.J.1
Urban, J.2
Roszak, S.3
Leszczynski, J.4
-
243
-
-
84983035977
-
The nature of substituent electronic effects
-
Taft RW, Topsom RD. 1987. The nature of substituent electronic effects. Prog Phys Org Chem 16:1-83.
-
(1987)
Prog Phys Org Chem
, vol.16
, pp. 1-83
-
-
Taft, R.W.1
Topsom, R.D.2
-
244
-
-
0001051505
-
Enumeration of the conformers of unbranched aliphatic alkanes
-
Tasi G, Mizukami F, Palinko I, Csontos J, Gyorffy W, Nair P, Maeda K, Toba M, Niwa S, Kiyozumi Y, Kiricsi I. 1998. Enumeration of the conformers of unbranched aliphatic alkanes. J Phys Chem 102:7698-7703.
-
(1998)
J Phys Chem
, vol.102
, pp. 7698-7703
-
-
Tasi, G.1
Mizukami, F.2
Palinko, I.3
Csontos, J.4
Gyorffy, W.5
Nair, P.6
Maeda, K.7
Toba, M.8
Niwa, S.9
Kiyozumi, Y.10
Kiricsi, I.11
-
245
-
-
84986492909
-
A simple approximation for the vibrational partition function of a hindered internal rotation
-
Truhlar DG. 1991. A simple approximation for the vibrational partition function of a hindered internal rotation. J Comput Chem 12:266-270.
-
(1991)
J Comput Chem
, vol.12
, pp. 266-270
-
-
Truhlar, D.G.1
-
246
-
-
0001364046
-
Properties and reactions of protonated molecules in the gas phase. Experiment and theory
-
Uggerud E. 1992. Properties and reactions of protonated molecules in the gas phase. Experiment and theory. Mass Spectrom Rev 11:389-430.
-
(1992)
Mass Spectrom Rev
, vol.11
, pp. 389-430
-
-
Uggerud, E.1
-
247
-
-
2342424044
-
Experimental and theoretical evaluation of proton affinities of furan, the methylphenols and the related anisoles
-
van Beelen ESE, Koblenz TA, Ingemann S, Hammerum S. 2004. Experimental and theoretical evaluation of proton affinities of furan, the methylphenols and the related anisoles. J Phys Chem A 108:2787-2793.
-
(2004)
J Phys Chem A
, vol.108
, pp. 2787-2793
-
-
van Beelen, E.S.E.1
Koblenz, T.A.2
Ingemann, S.3
Hammerum, S.4
-
248
-
-
33344456285
-
Reactions of the allyl and 2-propenyl cations isomers with D20: Separation and titration of mixed isomers by Fourier transform ion cyclotron resonance
-
van der Rest G, Mourgues P, Leblanc D, Audier HE. 1997. Reactions of the allyl and 2-propenyl cations isomers with D20: Separation and titration of mixed isomers by Fourier transform ion cyclotron resonance. Eur Mass Spectrom 3:323-326.
-
(1997)
Eur Mass Spectrom
, vol.3
, pp. 323-326
-
-
van der Rest, G.1
Mourgues, P.2
Leblanc, D.3
Audier, H.E.4
-
249
-
-
0034310447
-
Ab initio study of radical addition reactions: Addition of a primary ethylbenzene radical to ethane
-
Van Speybroeck V, Van Neck D, Waroquier M, Wauters S, Sayes M, Marin GB. 2000. Ab initio study of radical addition reactions: Addition of a primary ethylbenzene radical to ethane. J Phys Chem A 104:10939-10950.
-
(2000)
J Phys Chem A
, vol.104
, pp. 10939-10950
-
-
Van Speybroeck, V.1
Van Neck, D.2
Waroquier, M.3
Wauters, S.4
Sayes, M.5
Marin, G.B.6
-
250
-
-
0035899125
-
Ab initio study of radical reactions: Cyclisation pathways for the butylbenszene radical
-
Van Speybroeck V, Borremans Y, Van Neck D, Waroquier M, Wauters S, Sayes M, Marin GB. 2001. Ab initio study of radical reactions: Cyclisation pathways for the butylbenszene radical. J Phys Chem A 105:7713-7723.
-
(2001)
J Phys Chem A
, vol.105
, pp. 7713-7723
-
-
Van Speybroeck, V.1
Borremans, Y.2
Van Neck, D.3
Waroquier, M.4
Wauters, S.5
Sayes, M.6
Marin, G.B.7
-
251
-
-
0037179480
-
Ab initio study of radical reactions: Role of coupled internal rotations on the reaction kinetics
-
Van Speybroeck V, Van Neck D, Waroquier M. 2002. Ab initio study of radical reactions: Role of coupled internal rotations on the reaction kinetics. J Phys Chem A 106:8945-8950.
-
(2002)
J Phys Chem A
, vol.106
, pp. 8945-8950
-
-
Van Speybroeck, V.1
Van Neck, D.2
Waroquier, M.3
-
252
-
-
12344300427
-
Why does the uncoupled hindered rotor model work well for the thermodynamics of n-alkanes?
-
Van Speybroeck V, Vansteenkiste P, Van Neck D, Waroquier M. 2005. Why does the uncoupled hindered rotor model work well for the thermodynamics of n-alkanes? Chem Phys Lett 402:479-484.
-
(2005)
Chem Phys Lett
, vol.402
, pp. 479-484
-
-
Van Speybroeck, V.1
Vansteenkiste, P.2
Van Neck, D.3
Waroquier, M.4
-
253
-
-
0037666045
-
Ab initio calculation of entropy and heat capacity of gas-phase n-alkanes using internal rotations
-
Vansteenkiste P, Van Speybroeck V, Marin GB, Waroquier M. 2003. Ab initio calculation of entropy and heat capacity of gas-phase n-alkanes using internal rotations. J Phys Chem A 107:3139-3145.
-
(2003)
J Phys Chem A
, vol.107
, pp. 3139-3145
-
-
Vansteenkiste, P.1
Van Speybroeck, V.2
Marin, G.B.3
Waroquier, M.4
-
254
-
-
33645523190
-
Applicability of the hindered rotor scheme to the puckering mode in four membered rings
-
Vansteenkiste P, Van Speybroeck V, Verniest G, De Kimpe N, Waroquier M. 2006. Applicability of the hindered rotor scheme to the puckering mode in four membered rings. J Phys Chem A 110:3838-3844.
-
(2006)
J Phys Chem A
, vol.110
, pp. 3838-3844
-
-
Vansteenkiste, P.1
Van Speybroeck, V.2
Verniest, G.3
De Kimpe, N.4
Waroquier, M.5
-
255
-
-
0029926423
-
Internal energy effects in mass spectrometry
-
Vekey K. 1996. Internal energy effects in mass spectrometry. J Mass Spectrom 31:445-463.
-
(1996)
J Mass Spectrom
, vol.31
, pp. 445-463
-
-
Vekey, K.1
-
256
-
-
0000454306
-
α,ωDiaminoalkanes as models for bases that dicoordinate the proton: An evaluation of the kinetic method for estimating their proton affinities
-
Wang Z, Chu IK, Rodriquez CF, Hopkinson AC, Siu KWM. 1999. α,ωDiaminoalkanes as models for bases that dicoordinate the proton: An evaluation of the kinetic method for estimating their proton affinities. J Phys Chem 103:8700-8705.
-
(1999)
J Phys Chem
, vol.103
, pp. 8700-8705
-
-
Wang, Z.1
Chu, I.K.2
Rodriquez, C.F.3
Hopkinson, A.C.4
Siu, K.W.M.5
-
257
-
-
4544357155
-
Entropy considerations in kinetic method experiments
-
Wesdemiotis C. 2004. Entropy considerations in kinetic method experiments. J Mass Spectrom 39:998-1003.
-
(2004)
J Mass Spectrom
, vol.39
, pp. 998-1003
-
-
Wesdemiotis, C.1
-
258
-
-
0035960236
-
A theoretical investigation of the effects of electronegative substitution on the strength of C-H⋯N hydrogen bonds
-
Wetmore SD, Schofield R, Smith DM, Radom L. 2001. A theoretical investigation of the effects of electronegative substitution on the strength of C-H⋯N hydrogen bonds. J Phys Chem A 105:8718-8726.
-
(2001)
J Phys Chem A
, vol.105
, pp. 8718-8726
-
-
Wetmore, S.D.1
Schofield, R.2
Smith, D.M.3
Radom, L.4
-
259
-
-
0031586196
-
Partition function and the level density of the hindered rotor
-
Witschel W, Hartwigsen C. 1997. Partition function and the level density of the hindered rotor. Chem Phys Lett 273:304-310.
-
(1997)
Chem Phys Lett
, vol.273
, pp. 304-310
-
-
Witschel, W.1
Hartwigsen, C.2
-
260
-
-
2142665321
-
Proton bond dimers of aliphatic carboxamides: Gas phase basicity and dissociation energy
-
Witt M, Grutzmacher HF. 1997. Proton bond dimers of aliphatic carboxamides: Gas phase basicity and dissociation energy. Int J Mass Spectrom Ion Proc 165/166:49-62.
-
(1997)
Int J Mass Spectrom Ion Proc
, vol.165-166
, pp. 49-62
-
-
Witt, M.1
Grutzmacher, H.F.2
-
261
-
-
0001171112
-
Gas phase basicities and relative proton affinities of compounds between water and ammonia from pulsed ion cyclotron resonance thermal equilibria measurements
-
Wolf JF, Staley RH, Koppel I, Taagepera M, McIver RT, Jr, Beauchamp JL, Taft RW. 1977. Gas phase basicities and relative proton affinities of compounds between water and ammonia from pulsed ion cyclotron resonance thermal equilibria measurements. J Am Chem Soc 99: 5417-5429.
-
(1977)
J Am Chem Soc
, vol.99
, pp. 5417-5429
-
-
Wolf, J.F.1
Staley, R.H.2
Koppel, I.3
Taagepera, M.4
McIver Jr, R.T.5
Beauchamp, J.L.6
Taft, R.W.7
-
262
-
-
84990637897
-
Gas phase basicities and proton affinities of lysine and histidine measured from the dissociation of proton bound dimers
-
Wu Z, Fenselau C. 1994. Gas phase basicities and proton affinities of lysine and histidine measured from the dissociation of proton bound dimers. Rapid Commun Mass Spectrom 8:777-780.
-
(1994)
Rapid Commun Mass Spectrom
, vol.8
, pp. 777-780
-
-
Wu, Z.1
Fenselau, C.2
-
264
-
-
33745190746
-
An investigation of the ion-molecule interactions of protonated glycine with ammonia by high pressure mass spectrometry and ab initio calculations
-
Wu R, McMahon TB. 2005. An investigation of the ion-molecule interactions of protonated glycine with ammonia by high pressure mass spectrometry and ab initio calculations. Can J Chem 83:1978-1993.
-
(2005)
Can J Chem
, vol.83
, pp. 1978-1993
-
-
Wu, R.1
McMahon, T.B.2
-
265
-
-
17444385029
-
Energies and potential energy surfaces: Organics
-
Gross ML, Caprioli RM, Armentrout P editors, Amsterdam: Elsevier, pp
-
Yanez M. 2003. Energies and potential energy surfaces: Organics. In: Gross ML, Caprioli RM, Armentrout P (editors). Encyclopedia of mass spectrometry, Vol. 1. Amsterdam: Elsevier, pp. 68-77.
-
(2003)
Encyclopedia of mass spectrometry
, vol.1
, pp. 68-77
-
-
Yanez, M.1
-
266
-
-
0000671296
-
Conformers of gaseous protonated glycine
-
Zhang K, Chung-Phillips A. 1998. Conformers of gaseous protonated glycine. J Comput Chem 19:1862-1876.
-
(1998)
J Comput Chem
, vol.19
, pp. 1862-1876
-
-
Zhang, K.1
Chung-Phillips, A.2
-
267
-
-
0001234164
-
Experimental and ab initio studies of the gas phase basicities of polyglycines
-
Zhang K, Zimmerman DM, Chung-Philips A, Cassady CJ. 1993. Experimental and ab initio studies of the gas phase basicities of polyglycines. J Am Chem Soc 115:10812-10822.
-
(1993)
J Am Chem Soc
, vol.115
, pp. 10812-10822
-
-
Zhang, K.1
Zimmerman, D.M.2
Chung-Philips, A.3
Cassady, C.J.4
-
268
-
-
0037168351
-
Thermochemical determination by the kinetic method with direct entropy correction
-
Zheng X, Cooks RG. 2002. Thermochemical determination by the kinetic method with direct entropy correction. J Phys Chem A 106:9939-9946.
-
(2002)
J Phys Chem A
, vol.106
, pp. 9939-9946
-
-
Zheng, X.1
Cooks, R.G.2
-
269
-
-
9644304665
-
The kinetic method: Thermochemical determinations and chiral analysis
-
Gross ML, Caprioli RM, Armentrout P editors, Amsterdam: Elsevier, pp
-
Zheng X, Cooks RG, Augusti R, Tao WA. 2003. The kinetic method: Thermochemical determinations and chiral analysis. In: Gross ML, Caprioli RM, Armentrout P (editors). Encyclopedia of mass spectrometry, Vol. 1. Amsterdam: Elsevier, pp. 350-362.
-
(2003)
Encyclopedia of mass spectrometry
, vol.1
, pp. 350-362
-
-
Zheng, X.1
Cooks, R.G.2
Augusti, R.3
Tao, W.A.4
-
270
-
-
0037123034
-
Structures, rotational barriers and thermochemical properties of chlorinated aldehydes and the corresponding acetyl (CC.=O) and formyl methyl (C.C=O) and additivity groups
-
Zhu L, Bozzelli JW. 2002. Structures, rotational barriers and thermochemical properties of chlorinated aldehydes and the corresponding acetyl (CC.=O) and formyl methyl (C.C=O) and additivity groups. J Phys Chem A 106:345-355.
-
(2002)
J Phys Chem A
, vol.106
, pp. 345-355
-
-
Zhu, L.1
Bozzelli, J.W.2
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