-
4
-
-
0003878179
-
-
Hemisphere: New York
-
Gurvich, L. V.; Veyts, I. V.; Alcock, C. B.; Iorish, V. S. Thermodynamic Properties of Individual Substances, 4th ed.; Hemisphere: New York, 1991; Vol. 2.
-
(1991)
Thermodynamic Properties of Individual Substances, 4th Ed.
, vol.2
-
-
Gurvich, L.V.1
Veyts, I.V.2
Alcock, C.B.3
Iorish, V.S.4
-
5
-
-
11944271464
-
Bond strengths of ethylene and acetylene
-
Ervin, K. M.; Gronert, S.; Barlow, S. E.; Gilles, M. K.; Harrison, A. G.; Bierbaum, V. M.; Charles H. DePuy; Lineberger, W. C.; Ellison, G. B. Bond Strengths of Ethylene and Acetylene. J. Am. Chem. Soc. 1990, 112, 5750-5759.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 5750-5759
-
-
Ervin, K.M.1
Gronert, S.2
Barlow, S.E.3
Gilles, M.K.4
Harrison, A.G.5
Bierbaum, V.M.6
DePuy, C.H.7
Lineberger, W.C.8
Ellison, G.B.9
-
6
-
-
0037167785
-
Anchoring the gas-phase acidity scale: Experiment and theory
-
Ervin, K. M.; DeTuri, V. F. Anchoring the Gas-Phase Acidity Scale: Experiment and Theory. J. Phys. Chem. A 2002, 106, 9947-9956.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 9947-9956
-
-
Ervin, K.M.1
DeTuri, V.F.2
-
7
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
8
-
-
0002239562
-
-
Irikura, K. K., Frurip, D. J., Eds.; ACS Symposium Series 677; American Chemical Society: Washington, DC
-
Petersson, G. A. In Computational Thermochemistry; Irikura, K. K., Frurip, D. J., Eds.; ACS Symposium Series 677; American Chemical Society: Washington, DC, 1998; pp 237-266.
-
(1998)
Computational Thermochemistry
, pp. 237-266
-
-
Petersson, G.A.1
-
9
-
-
0041689437
-
Three methods to measure RH bond energies
-
Berkowitz, J.; Ellison, G. B.; Gutman, D. Three Methods to Measure RH Bond Energies. J. Phys. Chem. 1994, 98, 2744-2765.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 2744-2765
-
-
Berkowitz, J.1
Ellison, G.B.2
Gutman, D.3
-
11
-
-
0000135519
-
The ethyl radical-photoionization and theoretical studies
-
Ruscic, B.; Berkowitz, J.; Curtiss, L. A.; Pople, J. A. The Ethyl Radical-Photoionization and Theoretical Studies. J. Chem. Phys. 1989, 91, 114-121.
-
(1989)
J. Chem. Phys.
, vol.91
, pp. 114-121
-
-
Ruscic, B.1
Berkowitz, J.2
Curtiss, L.A.3
Pople, J.A.4
-
12
-
-
0035246253
-
Experimental techniques in gas-phase ion thermochemistry
-
Ervin, K. M. Experimental techniques in gas-phase ion thermochemistry. Chem. Rev. 2001, 101, 391-444.
-
(2001)
Chem. Rev.
, vol.101
, pp. 391-444
-
-
Ervin, K.M.1
-
13
-
-
0036025403
-
Atomic and molecular electron affinities: Photoelectron experiments and theoretical computations
-
Rienstra-Kiracofe, J. C.; Tschumper, G. S.; Schaefer, H. F., III; Nandi, S.; Ellison, G. B. Atomic and Molecular Electron Affinities: Photoelectron Experiments and Theoretical Computations. Chem. Rev. 2002, 102, 231-282.
-
(2002)
Chem. Rev.
, vol.102
, pp. 231-282
-
-
Rienstra-Kiracofe, J.C.1
Tschumper, G.S.2
Schaefer H.F. III3
Nandi, S.4
Ellison, G.B.5
-
14
-
-
0037168326
-
The heat of formation of the hydroperoxyl radical HOO via negative ion studies
-
Ramond, T. M.; Blanksby, S. J.; Kato, S.; Bierbaum, V. M.; Davico, G. E.; Schwartz, R. L.; Lineberger, W. C.; Ellison, G. B. The Heat of Formation of the Hydroperoxyl Radical HOO via Negative Ion Studies. J. Phys. Chem. A 2002, 106, 9641-9647.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 9641-9647
-
-
Ramond, T.M.1
Blanksby, S.J.2
Kato, S.3
Bierbaum, V.M.4
Davico, G.E.5
Schwartz, R.L.6
Lineberger, W.C.7
Ellison, G.B.8
-
17
-
-
0001998551
-
Gas phase ion and neutral thermochemistry
-
Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. Gas Phase Ion and Neutral Thermochemistry. J. Phys. Chem. Ref. Data 1988, 17 (Suppl. 1), 1.
-
(1988)
J. Phys. Chem. Ref. Data
, vol.17
, Issue.SUPPL. 1
, pp. 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
-
18
-
-
0000336295
-
Vibronic structure of alkoxy radicals via photoelectron spectroscopy
-
Ramond, T. M.; Davico, G. E.; Schwartz, R. L.; Lineberger, W. C. Vibronic structure of alkoxy radicals via photoelectron spectroscopy. J. Chem. Phys. 2000, 112, 1158-1169.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1158-1169
-
-
Ramond, T.M.1
Davico, G.E.2
Schwartz, R.L.3
Lineberger, W.C.4
-
21
-
-
0344209002
-
-
note
-
3, and they react with all organic species pumped into the atmosphere.
-
-
-
-
22
-
-
0000985048
-
Understanding trends in C-H, N-H, and O-H bond dissociation enthalpies
-
Ingold, K. U.; Wright, J. S. Understanding trends in C-H, N-H, and O-H bond dissociation enthalpies. J. Chem. Educ. 2000, 77, 1062-1064.
-
(2000)
J. Chem. Educ.
, vol.77
, pp. 1062-1064
-
-
Ingold, K.U.1
Wright, J.S.2
-
23
-
-
0001587674
-
The description of chemical bonding from Ab initio calculations
-
Goddard, W. A., III; Harding, L. B. The Description of Chemical Bonding from Ab Initio Calculations. Annu. Rev. Phys. Chem. 1978, 29, 363-396.
-
(1978)
Annu. Rev. Phys. Chem.
, vol.29
, pp. 363-396
-
-
Goddard W.A. III1
Harding, L.B.2
-
24
-
-
0041453939
-
Relation between singlet triplet gaps and bond-energies
-
Carter, E. A.; Goddard, W. A. Relation between Singlet Triplet Gaps and Bond-Energies. J. Phys. Chem. 1986, 90, 998-1001.
-
(1986)
J. Phys. Chem.
, vol.90
, pp. 998-1001
-
-
Carter, E.A.1
Goddard, W.A.2
-
25
-
-
0034300441
-
A road map for the calculation of molecular binding energies
-
Dunning, T. H., Jr. A Road Map for the Calculation of Molecular Binding Energies. J. Phys. Chem. A 2000, 104, 9062-9080.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 9062-9080
-
-
Dunning T.H., Jr.1
-
27
-
-
0000108928
-
Gas-phase acidities of o-, m- and p-dehydrobenzoic acid radicals. Determination of the substituent constants for a phenyl radical site
-
Wenthold, P. G.; Squires, R. R. Gas-phase acidities of o-, m- and p-dehydrobenzoic acid radicals. Determination of the substituent constants for a phenyl radical site. Int. J. Mass Spectrom. 1998, 175, 215-224.
-
(1998)
Int. J. Mass Spectrom.
, vol.175
, pp. 215-224
-
-
Wenthold, P.G.1
Squires, R.R.2
-
28
-
-
0032479044
-
Ultraviolet photoelectron spectroscopy of the o-, m-, and p-benzyne negative ions. Electron affinities and singlet-triplet splittings for o-, m-, and p-benzyne
-
Wenthold, P. G.; Squires, R. R.; Lineberger, W. C. Ultraviolet photoelectron spectroscopy of the o-, m-, and p-benzyne negative ions. Electron affinities and singlet-triplet splittings for o-, m-, and p-benzyne. J. Am. Chem. Soc. 1998, 120, 5279-5290.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 5279-5290
-
-
Wenthold, P.G.1
Squires, R.R.2
Lineberger, W.C.3
-
29
-
-
0001271634
-
-
Ng, C. Y., Baer, T., Powis, I., Eds.; John Wiley & Sons: New York
-
Chen, P. In Unimolecular and Bimolecular Reaction Dynamics; Ng, C. Y., Baer, T., Powis, I., Eds.; John Wiley & Sons: New York, 1994; Vol. 3, pp 372-425.
-
(1994)
Unimolecular and Bimolecular Reaction Dynamics
, vol.3
, pp. 372-425
-
-
Chen, P.1
-
31
-
-
0001296767
-
3 via simultaneous solution of the local thermochemical network
-
3 via simultaneous solution of the local thermochemical network. J. Phys. Chem. A 1999, 103, 8625-8633.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 8625-8633
-
-
Ruscic, B.1
Litorja, M.2
Asher, R.L.3
-
33
-
-
0027319406
-
Chemistry and biology of natural and designed enediynes
-
Nicolaou, K. C.; Smith, A. L.; Yue, E. W. Chemistry and Biology of Natural and Designed Enediynes. Proc. Natl. Acad. Sci. U.S.A. 1993, 90, 5881-5888.
-
(1993)
Proc. Natl. Acad. Sci. U.S.A.
, vol.90
, pp. 5881-5888
-
-
Nicolaou, K.C.1
Smith, A.L.2
Yue, E.W.3
-
34
-
-
0035127983
-
Evidence for a lower enthalpy of formation of hydroxyl radical and a lower gas-phase bond dissociation energy of water
-
Ruscic, B.; Feller, D.; Dixon, D. A.; Peterson, K. A.; Harding, L. B.; Asher, R. L.; Wagner, A. F. Evidence for a lower enthalpy of formation of hydroxyl radical and a lower gas-phase bond dissociation energy of water. J. Phys. Chem. A 2001, 105, 1-4.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 1-4
-
-
Ruscic, B.1
Feller, D.2
Dixon, D.A.3
Peterson, K.A.4
Harding, L.B.5
Asher, R.L.6
Wagner, A.F.7
-
37
-
-
9744224621
-
Biradical thermochemistry from collision-induced dissociation threshold energy measurements. Absolute heats of formation of ortho-, meta-, and para-Benzyne
-
Wenthold, P. G.; Squires, R. R. Biradical Thermochemistry from Collision-Induced Dissociation Threshold Energy Measurements. Absolute Heats of Formation of ortho-, meta-, and para-Benzyne. J. Am. Chem Soc. 1994, 116, 6401-6412.
-
(1994)
J. Am. Chem Soc.
, vol.116
, pp. 6401-6412
-
-
Wenthold, P.G.1
Squires, R.R.2
-
38
-
-
0347847757
-
The thermochemistry of the benzyl and allyl radicals and ions
-
Ellison, G. B.; Davico, G. E.; Bierbaum, V. M.; DePuy, C. H. The Thermochemistry of the Benzyl and Allyl Radicals and Ions. Int. J. Mass Spectrom. Ion Processes 1996, 156, 109-131.
-
(1996)
Int. J. Mass Spectrom. Ion Processes
, vol.156
, pp. 109-131
-
-
Ellison, G.B.1
Davico, G.E.2
Bierbaum, V.M.3
DePuy, C.H.4
-
42
-
-
0035802353
-
2OO
-
2OO. J. Am. Chem. Soc. 2001, 123, 9585-9596.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 9585-9596
-
-
Blanksby, S.J.1
Ramond, T.M.2
Davico, G.E.3
Nimlos, M.R.4
Kato, S.5
Bierbaum, V.M.6
Lineberger, W.C.7
Ellison, G.B.8
Okumura, M.9
-
48
-
-
0001963714
-
Photoionization of HOCO revisited: A new upper limit to the adiabatic ionization energy and lower limit to the enthalpy of formation
-
Ruscic, B.; Litorja, M. Photoionization of HOCO revisited: a new upper limit to the adiabatic ionization energy and lower limit to the enthalpy of formation. Chem. Phys. Lett. 2000, 316, 45-50.
-
(2000)
Chem. Phys. Lett.
, vol.316
, pp. 45-50
-
-
Ruscic, B.1
Litorja, M.2
-
49
-
-
0003464216
-
-
NIST Standard Reference Database No. 69, National Institute of Standards and Technology:. Gaithersburg MD
-
Linstrom, P. J.; Mallard, W. G. NIST Chemistry WebBook; NIST Standard Reference Database No. 69; National Institute of Standards and Technology: Gaithersburg MD, 2001; http://webbook.nist.gov.
-
(2001)
NIST Chemistry WebBook
-
-
Linstrom, P.J.1
Mallard, W.G.2
|