-
2
-
-
0037317467
-
The basics of mass spectrometry in the twenty-first century
-
Glish G.L., and Vachet R.W. The basics of mass spectrometry in the twenty-first century. Nat. Rev. Drug Dic 2 (2003) 140-150
-
(2003)
Nat. Rev. Drug Dic
, vol.2
, pp. 140-150
-
-
Glish, G.L.1
Vachet, R.W.2
-
3
-
-
85016229161
-
Large-Scale Protein Identification Using Mass Spectrometry
-
Lin D., Tabb D.L., and Yates J.R.I. Large-Scale Protein Identification Using Mass Spectrometry. Biochim. Biophys. Acta 1646 (2003) 1-10
-
(2003)
Biochim. Biophys. Acta
, vol.1646
, pp. 1-10
-
-
Lin, D.1
Tabb, D.L.2
Yates, J.R.I.3
-
4
-
-
0038488193
-
A Mass Spectrometric Journey into Protein and Proteome Research
-
Aebersold R. A Mass Spectrometric Journey into Protein and Proteome Research. J. Am. Soc. Mass Spectrom 14 (2003) 685-695
-
(2003)
J. Am. Soc. Mass Spectrom
, vol.14
, pp. 685-695
-
-
Aebersold, R.1
-
5
-
-
0035246248
-
Mass Analysis at the Advent of the 21st Century
-
McLuckey S.A., and Wells J.M. Mass Analysis at the Advent of the 21st Century. Chem. Rev 101 (2001) 571-606
-
(2001)
Chem. Rev
, vol.101
, pp. 571-606
-
-
McLuckey, S.A.1
Wells, J.M.2
-
6
-
-
0033798919
-
Tandem Mass Spectrometry: Dissociation of Ions by Collisional Activation
-
Shukla A.K., and Futrell J.H. Tandem Mass Spectrometry: Dissociation of Ions by Collisional Activation. J. Mass Spectrom 35 (2000) 1069-1090
-
(2000)
J. Mass Spectrom
, vol.35
, pp. 1069-1090
-
-
Shukla, A.K.1
Futrell, J.H.2
-
7
-
-
0005387475
-
Principles of Collisional Activation in Analytical Mass Spectrometry
-
McLuckey S.A. Principles of Collisional Activation in Analytical Mass Spectrometry. J. Am. Soc. Mass Spectrom 3 (1992) 559-614
-
(1992)
J. Am. Soc. Mass Spectrom
, vol.3
, pp. 559-614
-
-
McLuckey, S.A.1
-
8
-
-
0031010426
-
Slow Heating Methods in Tandem Mass Spectrometry
-
McLuckey S.A., and Goeringer D.E. Slow Heating Methods in Tandem Mass Spectrometry. J. Mass Spectrom 32 (1997) 461-474
-
(1997)
J. Mass Spectrom
, vol.32
, pp. 461-474
-
-
McLuckey, S.A.1
Goeringer, D.E.2
-
9
-
-
21844457685
-
Fragmentation Pathways of Protonated Peptides
-
Paizs B., and Suhai S. Fragmentation Pathways of Protonated Peptides. Mass Spectrom. Rev 24 (2005) 508-548
-
(2005)
Mass Spectrom. Rev
, vol.24
, pp. 508-548
-
-
Paizs, B.1
Suhai, S.2
-
10
-
-
0000933114
-
Mass Spectrometry-Not Just a Structural Tool: The Use of Guided Ion Beam Tandem Mass Spectrometry to Determine Thermochemistry
-
Armentrout P.B. Mass Spectrometry-Not Just a Structural Tool: The Use of Guided Ion Beam Tandem Mass Spectrometry to Determine Thermochemistry. J. Am. Soc. Mass Spectrom 13 (2002) 419-434
-
(2002)
J. Am. Soc. Mass Spectrom
, vol.13
, pp. 419-434
-
-
Armentrout, P.B.1
-
11
-
-
34547255530
-
Statistical Modeling of Sequential Collision-Induced Dissociation Thresholds
-
Armentrout P.B. Statistical Modeling of Sequential Collision-Induced Dissociation Thresholds. J. Chem. Phys 126 (2007) 234-302
-
(2007)
J. Chem. Phys
, vol.126
, pp. 234-302
-
-
Armentrout, P.B.1
-
12
-
-
0023804303
-
Contributions of Mass Spectrometry to Peptide and Protein Structure
-
Biemann K. Contributions of Mass Spectrometry to Peptide and Protein Structure. Biomed. Environ. Mass Spectrom 16 (1984) 99-111
-
(1984)
Biomed. Environ. Mass Spectrom
, vol.16
, pp. 99-111
-
-
Biemann, K.1
-
14
-
-
84987419408
-
Proposal for a Common Nomenclature for Sequence Ions in Mass-Spectra of Peptides
-
601-601
-
Roepstorff P., and Fohlman J. Proposal for a Common Nomenclature for Sequence Ions in Mass-Spectra of Peptides. Biomed. Mass Spectrom 11 (1984) 601-601
-
(1984)
Biomed. Mass Spectrom
, vol.11
-
-
Roepstorff, P.1
Fohlman, J.2
-
15
-
-
0037353846
-
Statistical Characterization of Ion Trap Tandem Mass Spectra from Doubly Charged Tryptic Peptides
-
Tabb D.L., Smith L.L., Breci L.A., Wysocki V.H., Lin D., and Yates J.R. Statistical Characterization of Ion Trap Tandem Mass Spectra from Doubly Charged Tryptic Peptides. Anal. Chem 75 (2003) 1155-1163
-
(2003)
Anal. Chem
, vol.75
, pp. 1155-1163
-
-
Tabb, D.L.1
Smith, L.L.2
Breci, L.A.3
Wysocki, V.H.4
Lin, D.5
Yates, J.R.6
-
16
-
-
0034501099
-
Mobile and Localized Protons: A Framework for Understanding Peptide Dissociation
-
Wysocki V.H., Tsaprailis G., Smith L.L., and Breci L.A. Mobile and Localized Protons: A Framework for Understanding Peptide Dissociation. J. Mass Spectrom 35 (2000) 1399-1406
-
(2000)
J. Mass Spectrom
, vol.35
, pp. 1399-1406
-
-
Wysocki, V.H.1
Tsaprailis, G.2
Smith, L.L.3
Breci, L.A.4
-
17
-
-
0034516862
-
Dissociation of the Peptide Bond in Protonated Peptides
-
Polce M.J., Ren D., and Wesdemiotis C. Dissociation of the Peptide Bond in Protonated Peptides. J. Mass Spectrom 35 (2000) 1391-1398
-
(2000)
J. Mass Spectrom
, vol.35
, pp. 1391-1398
-
-
Polce, M.J.1
Ren, D.2
Wesdemiotis, C.3
-
18
-
-
0042905854
-
Collisional Activation of Peptide Ions in FT-ICR Mass Spectrometry
-
Laskin J., and Futrell J.H. Collisional Activation of Peptide Ions in FT-ICR Mass Spectrometry. Mass Spectrom. Rev 22 (2003) 158-181
-
(2003)
Mass Spectrom. Rev
, vol.22
, pp. 158-181
-
-
Laskin, J.1
Futrell, J.H.2
-
19
-
-
0034695364
-
Internal Energy Distributions Resulting from Sustained Off-Resonance Excitation in FTMS. I. Fragmentation of the Bromobenzene Radical Cation
-
Laskin J., Byrd M., and Futrell J. Internal Energy Distributions Resulting from Sustained Off-Resonance Excitation in FTMS. I. Fragmentation of the Bromobenzene Radical Cation. Int. J. Mass Spectrom 195 (2000) 285-302
-
(2000)
Int. J. Mass Spectrom
, vol.195
, pp. 285-302
-
-
Laskin, J.1
Byrd, M.2
Futrell, J.3
-
20
-
-
0035878991
-
Guided Ion Beam Study of Collision-Induced Dissociation Dynamics: Integral and Differential Cross Sections
-
Muntean F., and Armentrout P.B. Guided Ion Beam Study of Collision-Induced Dissociation Dynamics: Integral and Differential Cross Sections. J. Chem. Phys 115 (2001) 1213-1228
-
(2001)
J. Chem. Phys
, vol.115
, pp. 1213-1228
-
-
Muntean, F.1
Armentrout, P.B.2
-
21
-
-
0000889073
-
Collisional Activation of Small Peptides
-
Meroueh O., and Hase W.L. Collisional Activation of Small Peptides. J. Phys. Chem. A 103 (1999) 3981-3990
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 3981-3990
-
-
Meroueh, O.1
Hase, W.L.2
-
22
-
-
0033806080
-
Energy Transfer Pathways in the Collisional Activation of Peptides
-
Meroueh O., and Hase W.L. Energy Transfer Pathways in the Collisional Activation of Peptides. Int. J. Mass Spectrom 201 (2000) 233-244
-
(2000)
Int. J. Mass Spectrom
, vol.201
, pp. 233-244
-
-
Meroueh, O.1
Hase, W.L.2
-
24
-
-
0027989423
-
Low-Energy Dissociation Pathways of Small Deprotonated Peptides in the Gas Phase
-
Marzluff E.M., Campbell S., Rodgers M.T., and Beauchamp J.L. Low-Energy Dissociation Pathways of Small Deprotonated Peptides in the Gas Phase. J. Am. Chem. Soc 116 (1994) 7787-7796
-
(1994)
J. Am. Chem. Soc
, vol.116
, pp. 7787-7796
-
-
Marzluff, E.M.1
Campbell, S.2
Rodgers, M.T.3
Beauchamp, J.L.4
-
25
-
-
0000370760
-
Experimental Investigations of Factors Controlling the Collision-Induced Dissociation Spectra of Peptide Ions in a Tandem Hybrid Mass Spectrometer. 1. Leucine Enkephalin
-
Alexander A.J., and Boyd R.K. Experimental Investigations of Factors Controlling the Collision-Induced Dissociation Spectra of Peptide Ions in a Tandem Hybrid Mass Spectrometer. 1. Leucine Enkephalin. Int. J. Mass Spectrom. Ion Processes 90 (1989) 211-240
-
(1989)
Int. J. Mass Spectrom. Ion Processes
, vol.90
, pp. 211-240
-
-
Alexander, A.J.1
Boyd, R.K.2
-
26
-
-
4143101230
-
Target Gas Excitation in Collision-Induced Dissociation-a Reinvestigation of Energy Loss in Collisional Activation of Molecular Ions of Chlorophyll-α
-
Alexander A.J., Thibault P., and Boyd R.K. Target Gas Excitation in Collision-Induced Dissociation-a Reinvestigation of Energy Loss in Collisional Activation of Molecular Ions of Chlorophyll-α. J. Am. Chem. Soc 112 (1990) 2484-2491
-
(1990)
J. Am. Chem. Soc
, vol.112
, pp. 2484-2491
-
-
Alexander, A.J.1
Thibault, P.2
Boyd, R.K.3
-
27
-
-
2142803817
-
High-Energy Collisional Activation Studied Via Angle-Resolved Translational Energy Spectra of Survivor Ions
-
Thibault P., Alexander A.J., and Boyd R.K. High-Energy Collisional Activation Studied Via Angle-Resolved Translational Energy Spectra of Survivor Ions. J. Am. Soc. Mass Spectrom 4 (1993) 835-844
-
(1993)
J. Am. Soc. Mass Spectrom
, vol.4
, pp. 835-844
-
-
Thibault, P.1
Alexander, A.J.2
Boyd, R.K.3
-
28
-
-
0001218015
-
Delayed Dissociation Spectra of Survivor Ions from High-Energy Collisional Activation
-
Thibault P., Alexander A.J., Boyd R.K., and Tomer .K.B. Delayed Dissociation Spectra of Survivor Ions from High-Energy Collisional Activation. J. Am. Soc. Mass Spectrom 4 (1993) 845-854
-
(1993)
J. Am. Soc. Mass Spectrom
, vol.4
, pp. 845-854
-
-
Thibault, P.1
Alexander, A.J.2
Boyd, R.K.3
Tomer, .K.B.4
-
29
-
-
0001898998
-
Partitioning of Kinetic Energy to Internal Energy in the Low Energy Collision-Induced Dissociation of Proton-Bound Dimers of Polypeptides
-
Chen G., Cooks R.G., Bunk D.M., Welch M.J., and Christie J.R. Partitioning of Kinetic Energy to Internal Energy in the Low Energy Collision-Induced Dissociation of Proton-Bound Dimers of Polypeptides. Int. J. Mass Spectrom 185/186/187 (1999) 75-90
-
(1999)
Int. J. Mass Spectrom
, vol.185-186 -187
, pp. 75-90
-
-
Chen, G.1
Cooks, R.G.2
Bunk, D.M.3
Welch, M.J.4
Christie, J.R.5
-
30
-
-
0031713448
-
A Novel Method to Determine Collisional Energy Transfer Efficiency by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry
-
Heeren R.M.A., and Vekey K. A Novel Method to Determine Collisional Energy Transfer Efficiency by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. Rapid Commun. Mass Spectrom 12 (1998) 1175-1181
-
(1998)
Rapid Commun. Mass Spectrom
, vol.12
, pp. 1175-1181
-
-
Heeren, R.M.A.1
Vekey, K.2
-
31
-
-
0031951540
-
Calibration of the Internal Energy Distribution of Ions Produced by Electrospray
-
Collette C., and De Pauw E. Calibration of the Internal Energy Distribution of Ions Produced by Electrospray. Rapid Commun. Mass Spectrom 12 (1998) 165-170
-
(1998)
Rapid Commun. Mass Spectrom
, vol.12
, pp. 165-170
-
-
Collette, C.1
De Pauw, E.2
-
32
-
-
0031783289
-
Comparison of the Internal Energy Distributions of Ions Produced by Different Electrospray Sources
-
Collette C., Drahos L., De Pauw E., and Vekey K. Comparison of the Internal Energy Distributions of Ions Produced by Different Electrospray Sources. Rapid Commun. Mass Spectrom 12 (1998) 1673-1678
-
(1998)
Rapid Commun. Mass Spectrom
, vol.12
, pp. 1673-1678
-
-
Collette, C.1
Drahos, L.2
De Pauw, E.3
Vekey, K.4
-
33
-
-
0033429161
-
Thermal Energy Distribution Observed in Electrospray Ionization
-
Drahos L., Heeren R.M.A., Collette C., De Pauw E., and Vekey K. Thermal Energy Distribution Observed in Electrospray Ionization. J. Mass Spectrom 34 (1999) 1373-1379
-
(1999)
J. Mass Spectrom
, vol.34
, pp. 1373-1379
-
-
Drahos, L.1
Heeren, R.M.A.2
Collette, C.3
De Pauw, E.4
Vekey, K.5
-
34
-
-
0037362052
-
Theoretical Calculation of Isotope Effects, Kinetic Energy Release, and Effective Temperatures for Slkylamines
-
Drahos L., Sztaray J., and Vekey K. Theoretical Calculation of Isotope Effects, Kinetic Energy Release, and Effective Temperatures for Slkylamines. Int. J. Mass Spectrom 225 (2003) 233-248
-
(2003)
Int. J. Mass Spectrom
, vol.225
, pp. 233-248
-
-
Drahos, L.1
Sztaray, J.2
Vekey, K.3
-
35
-
-
0034744757
-
Mass Kinetics: A Theoretical Model of Mass Spectra Incorporating Physical Processes, Reaction Kinetics, and Mathematical dDescription
-
Drahos L., and Vekey K. Mass Kinetics: A Theoretical Model of Mass Spectra Incorporating Physical Processes, Reaction Kinetics, and Mathematical dDescription. J. Mass Spectrom 36 (2001) 237-263
-
(2001)
J. Mass Spectrom
, vol.36
, pp. 237-263
-
-
Drahos, L.1
Vekey, K.2
-
36
-
-
13244277582
-
Internal Energy Distribution in Electrospray Ionization
-
Naban-Maillet J., Lesage D., Bossee A., Gimbert Y., Sztaray J., Vekey K., and Tabet J.C. Internal Energy Distribution in Electrospray Ionization. J. Mass Spectrom 40 (2005) 1-8
-
(2005)
J. Mass Spectrom
, vol.40
, pp. 1-8
-
-
Naban-Maillet, J.1
Lesage, D.2
Bossee, A.3
Gimbert, Y.4
Sztaray, J.5
Vekey, K.6
Tabet, J.C.7
-
37
-
-
42049084803
-
Internal Energy Distribution of Peptides in Electrospray Ionization: ESI and Collision-Induced Dissociation Spectra Calculation
-
Pak A., Lesage D., Gimbert Y., Vekey K., and Tabet J.C. Internal Energy Distribution of Peptides in Electrospray Ionization: ESI and Collision-Induced Dissociation Spectra Calculation. J. Mass Spectrom 43 (2008) 447-455
-
(2008)
J. Mass Spectrom
, vol.43
, pp. 447-455
-
-
Pak, A.1
Lesage, D.2
Gimbert, Y.3
Vekey, K.4
Tabet, J.C.5
-
38
-
-
0034638359
-
A Comparative Study of Collision-Induced and Surface-Induced Dissociation. 1. Fragmentation of Protonated Dialanine
-
Laskin J., Denisov E., and Futrell J.H. A Comparative Study of Collision-Induced and Surface-Induced Dissociation. 1. Fragmentation of Protonated Dialanine. J. Am. Chem. Soc 122 (2000) 9703-9714
-
(2000)
J. Am. Chem. Soc
, vol.122
, pp. 9703-9714
-
-
Laskin, J.1
Denisov, E.2
Futrell, J.H.3
-
39
-
-
0035280951
-
Comparative Study of Collision-Induced and Surface-Induced Dissociation. 2. Fragmentation of Small Alanine-Containing Peptides in FT-ICR MS
-
Laskin J., Denisov E., and Futrell J.H. Comparative Study of Collision-Induced and Surface-Induced Dissociation. 2. Fragmentation of Small Alanine-Containing Peptides in FT-ICR MS. J. Phys. Chem. B 105 (2001) 1895-1900
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 1895-1900
-
-
Laskin, J.1
Denisov, E.2
Futrell, J.H.3
-
40
-
-
0036685589
-
Fragmentation Energetics of Small Peptides from Multiple-Collision Activation and Surface-Induced Dissociation in FT-ICR MS
-
Laskin J., Denisov E., and Futrell J.H. Fragmentation Energetics of Small Peptides from Multiple-Collision Activation and Surface-Induced Dissociation in FT-ICR MS. Int. J. Mass Spectrom 219 (2002) 189-201
-
(2002)
Int. J. Mass Spectrom
, vol.219
, pp. 189-201
-
-
Laskin, J.1
Denisov, E.2
Futrell, J.H.3
-
41
-
-
0033685037
-
Internal Energy Distributions Resulting from Sustained Off-Resonance Excitation in Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. II. Fragmentation of the 1-Bromonaphthalene Radical Cation
-
Laskin J., and Futrell J.H. Internal Energy Distributions Resulting from Sustained Off-Resonance Excitation in Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. II. Fragmentation of the 1-Bromonaphthalene Radical Cation. J. Phys. Chem. A 104 (2000) 5484-5494
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 5484-5494
-
-
Laskin, J.1
Futrell, J.H.2
-
42
-
-
0037040788
-
On the Efficiency of Energy Transfer in Collisional Activation of Small Peptides
-
Laskin J., and Futrell J.H. On the Efficiency of Energy Transfer in Collisional Activation of Small Peptides. J. Chem. Phys 116 (2002) 4302-4310
-
(2002)
J. Chem. Phys
, vol.116
, pp. 4302-4310
-
-
Laskin, J.1
Futrell, J.H.2
-
43
-
-
0141974301
-
Modeling Kinetic Shifts and Competition in Threshold Collision-Induced Dissociation. Case study: n-Butylbenzene Cation Dissociation
-
Muntean F., and Armentrout P.B. Modeling Kinetic Shifts and Competition in Threshold Collision-Induced Dissociation. Case study: n-Butylbenzene Cation Dissociation. J. Phys. Chem. A 107 (2003) 7413-7422
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 7413-7422
-
-
Muntean, F.1
Armentrout, P.B.2
-
44
-
-
2442540659
-
Threshold Collision-Induced Dissociations for the Determination of Accurate Gas-Phase Binding Energies and Reaction Barriers
-
Armentrout P.B. Threshold Collision-Induced Dissociations for the Determination of Accurate Gas-Phase Binding Energies and Reaction Barriers. Modern Mass Spectrom 225 (2003) 233-262
-
(2003)
Modern Mass Spectrom
, vol.225
, pp. 233-262
-
-
Armentrout, P.B.1
-
46
-
-
0031101986
-
Statistical Modeling of Collision-Induced Dissociation Thresholds
-
Rodgers M.T., Ervin K.M., and Armentrout P.B. Statistical Modeling of Collision-Induced Dissociation Thresholds. J. Chem. Phys 106 (1997) 4499-4508
-
(1997)
J. Chem. Phys
, vol.106
, pp. 4499-4508
-
-
Rodgers, M.T.1
Ervin, K.M.2
Armentrout, P.B.3
-
48
-
-
77049102359
-
-
Certain commercial instruments and materials are identified in this article to adequately specify the procedures. In no case does such identification imply recommendation or endorsement by NIST, nor does it imply that the instruments or materials are necessarily the best available for this purpose
-
Certain commercial instruments and materials are identified in this article to adequately specify the procedures. In no case does such identification imply recommendation or endorsement by NIST, nor does it imply that the instruments or materials are necessarily the best available for this purpose.
-
-
-
-
49
-
-
34250817103
-
A New Mixing of Hartree-Fock and Local Density-Functional Theories
-
Becke A.D. A New Mixing of Hartree-Fock and Local Density-Functional Theories. J. Chem. Phys 98 (1993) 1372-1377
-
(1993)
J. Chem. Phys
, vol.98
, pp. 1372-1377
-
-
Becke, A.D.1
-
50
-
-
0345491105
-
Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density
-
Lee C.T., Yang W.T., and Parr R.G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density. Phys. Rev. B 37 (1988) 785-789
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
51
-
-
0001802479
-
Use of the Cluster Expansion and the Technique of Diagrams in Calculations of Correlation Effects in Atoms and Molecules
-
Cizek J. Use of the Cluster Expansion and the Technique of Diagrams in Calculations of Correlation Effects in Atoms and Molecules. Adv. Chem. Phys 14 (1969) 35-89
-
(1969)
Adv. Chem. Phys
, vol.14
, pp. 35-89
-
-
Cizek, J.1
-
52
-
-
84987143265
-
Many-Body Perturbation-Theory, Coupled-Pair Many-Electron Theory, and Importance of Quadruple Excitations for Correlation Problem
-
Bartlett R.J., and Purvis G.D. Many-Body Perturbation-Theory, Coupled-Pair Many-Electron Theory, and Importance of Quadruple Excitations for Correlation Problem. Int. J. Quant. Chem 14 (1978) 516-581
-
(1978)
Int. J. Quant. Chem
, vol.14
, pp. 516-581
-
-
Bartlett, R.J.1
Purvis, G.D.2
-
53
-
-
0000122016
-
A Full Coupled-Cluster Singles and Doubles Model: The Inclusion of Disconnected Triples
-
Purvis G.D.I., and Bartlett R.J. A Full Coupled-Cluster Singles and Doubles Model: The Inclusion of Disconnected Triples. J. Chem. Phys 76 (1982) 1910-1918
-
(1982)
J. Chem. Phys
, vol.76
, pp. 1910-1918
-
-
Purvis, G.D.I.1
Bartlett, R.J.2
-
54
-
-
4143095330
-
Electron Affinities of the First-Row Atoms Revisited. Systematic Basis Sets and Wave Functions
-
Kendall R.A., Dunning Jr. T.H., and Harrison R.J. Electron Affinities of the First-Row Atoms Revisited. Systematic Basis Sets and Wave Functions. J. Chem. Phys 96 (1992) 6796-6806
-
(1992)
J. Chem. Phys
, vol.96
, pp. 6796-6806
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
55
-
-
15744375697
-
-
Gaussian, Inc, Wallingford, CT
-
Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery Jr. J.A., Vreven T., Kudin K.N., Burant J.C., Millam J.M., Iyengar S.S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G.A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Klene M., Li X., Knox J.E., Hratchian H.P., Cross J.B., Bakken V., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala P.Y., Morokuma K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.C., Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G., Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Gonzalez C., and Pople J.A. Gaussian 03Revision C 02 (2004), Gaussian, Inc, Wallingford, CT
-
(2004)
Gaussian 03Revision C 02
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
56
-
-
0030581007
-
Evaluation of Transition State Properties by Density Functional Theory
-
Durant J.L. Evaluation of Transition State Properties by Density Functional Theory. Chem. Phys. Lett 256 (1996) 595-602
-
(1996)
Chem. Phys. Lett
, vol.256
, pp. 595-602
-
-
Durant, J.L.1
-
58
-
-
0000703671
-
Direct Ab Initio Dynamics Studies of the Hydrogen Abstraction Reactions of Hydrogen Atom with Fluoromethanes
-
Maity D.K., Duncan W.T., and Truong T.N. Direct Ab Initio Dynamics Studies of the Hydrogen Abstraction Reactions of Hydrogen Atom with Fluoromethanes. J. Phys. Chem. A 103 (1999) 2152-2159
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 2152-2159
-
-
Maity, D.K.1
Duncan, W.T.2
Truong, T.N.3
-
59
-
-
36449003311
-
2 Reaction
-
2 Reaction. J. Chem. Phys 100 (1994) 8014-8025
-
(1994)
J. Chem. Phys
, vol.100
, pp. 8014-8025
-
-
Truong, T.N.1
-
60
-
-
1542474535
-
Direct Ab Initio Dynamics Methods for Calculating Thermal Rates of Polyatomic Reactions
-
Laird B.B., Ross R.B., Ziegler T., and Eds . (Eds), American Chemical Society, Washington, DC
-
Truong T.N., Duncan W.T., and Bell R.L. Direct Ab Initio Dynamics Methods for Calculating Thermal Rates of Polyatomic Reactions. In: Laird B.B., Ross R.B., Ziegler T., and Eds . (Eds). Chemical Applications of Density Functional Theory (1996), American Chemical Society, Washington, DC 85-104
-
(1996)
Chemical Applications of Density Functional Theory
, pp. 85-104
-
-
Truong, T.N.1
Duncan, W.T.2
Bell, R.L.3
-
62
-
-
10444235224
-
Reactivity Extrapolation from Small to Large Molecular Systems Via Isodesmic Reactions for Transition States (RESLIR)
-
Knyazev V.D. Reactivity Extrapolation from Small to Large Molecular Systems Via Isodesmic Reactions for Transition States (RESLIR). J. Phys. Chem 108 (2004) 10714-10722
-
(2004)
J. Phys. Chem
, vol.108
, pp. 10714-10722
-
-
Knyazev, V.D.1
-
67
-
-
0000626886
-
NIST-JANAF Thermochemical Tables, 4th Edition. Monograph
-
Chase Jr. M.W. NIST-JANAF Thermochemical Tables, 4th Edition. Monograph. J. Phys. Chem. Ref. Data 9 (1998) 1-1951
-
(1998)
J. Phys. Chem. Ref. Data
, vol.9
, pp. 1-1951
-
-
Chase Jr., M.W.1
-
69
-
-
0001983968
-
Heats of Formation of Organic Free Radicals by Kinetic Methods
-
Martinho Simoes J.A., Greenberg A., and Liebman J.F. (Eds), Blackie Academic and Professional, London
-
Tsang W. Heats of Formation of Organic Free Radicals by Kinetic Methods. In: Martinho Simoes J.A., Greenberg A., and Liebman J.F. (Eds). Energetics of Organic Free Radicals (1996), Blackie Academic and Professional, London 22-58
-
(1996)
Energetics of Organic Free Radicals
, pp. 22-58
-
-
Tsang, W.1
-
71
-
-
0032366914
-
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update
-
Hunter E.P., and Lias S.G. Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update. J. Phys. Chem. Ref. Data 27 (1998) 413-656
-
(1998)
J. Phys. Chem. Ref. Data
, vol.27
, pp. 413-656
-
-
Hunter, E.P.1
Lias, S.G.2
-
72
-
-
0023349848
-
Two Theories of Experimental Error
-
Colclough A.R. Two Theories of Experimental Error. J. Res. Nat. Bur. Stand 92 (1987) 167-185
-
(1987)
J. Res. Nat. Bur. Stand
, vol.92
, pp. 167-185
-
-
Colclough, A.R.1
-
75
-
-
0000253711
-
VENUS96: A General Chemical Dynamics Computer Program
-
Hase W.L., Duchovic R.J., Hu X., Komornicki A., Lim K.F., Lu D.-H., Peslherbe G.H., Swamy K.N., Vande Linde S.R., Varandas A., Wang H., and Wolf R.J. VENUS96: A General Chemical Dynamics Computer Program. Quantum Chem. Program Exchange Bull 16 (1996) 43
-
(1996)
Quantum Chem. Program Exchange Bull
, vol.16
, pp. 43
-
-
Hase, W.L.1
Duchovic, R.J.2
Hu, X.3
Komornicki, A.4
Lim, K.F.5
Lu, D.-H.6
Peslherbe, G.H.7
Swamy, K.N.8
Vande Linde, S.R.9
Varandas, A.10
Wang, H.11
Wolf, R.J.12
-
76
-
-
0029011701
-
A Second Generation Force-Field for the Simulation of Proteins, Nucleic-Acids, and Organic Molecules
-
Cornell W.D., Cieplak P., Bayly C.I., Gould I.R., Merz K.M., Ferguson D.M., Spellmeyer D.C., Fox T., Caldwell J.W., and Kollman P.A. A Second Generation Force-Field for the Simulation of Proteins, Nucleic-Acids, and Organic Molecules. J. Am. Chem. Soc 117 (1995) 5179-5197
-
(1995)
J. Am. Chem. Soc
, vol.117
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
77
-
-
0029912748
-
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
-
Jorgensen W.L., Maxwell D.S., and Tirado-Rives J. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids. J. Am. Chem. Soc 118 (1996) 11225-11236
-
(1996)
J. Am. Chem. Soc
, vol.118
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
78
-
-
0035478357
-
Gas-Phase and Liquid-State Properties of Esters, Nitriles, and Nitro Compounds with the OPLS-AA Force Field
-
Price M.L.P., Ostrovsky D., and Jorgensen W.L. Gas-Phase and Liquid-State Properties of Esters, Nitriles, and Nitro Compounds with the OPLS-AA Force Field. J. Comput. Chem 22 (2001) 1340-1352
-
(2001)
J. Comput. Chem
, vol.22
, pp. 1340-1352
-
-
Price, M.L.P.1
Ostrovsky, D.2
Jorgensen, W.L.3
-
79
-
-
0011682081
-
Quadratic Configuration Interaction. A General Technique for Determining Electron Correlation Energies
-
Pople J.A., Head-Gordon M., and Raghavachari K. Quadratic Configuration Interaction. A General Technique for Determining Electron Correlation Energies. J. Chem. Phys 87 (1987) 5968-5975
-
(1987)
J. Chem. Phys
, vol.87
, pp. 5968-5975
-
-
Pople, J.A.1
Head-Gordon, M.2
Raghavachari, K.3
-
80
-
-
0019927603
-
Fundamentals of Ion Motion in Electric Radio-Frequency Multipole Fields
-
Friedman M.H., Yergey A.L., and Campana J.E. Fundamentals of Ion Motion in Electric Radio-Frequency Multipole Fields. J. Phys. E: Sci. Instrum 15 (1982) 53-61
-
(1982)
J. Phys. E: Sci. Instrum
, vol.15
, pp. 53-61
-
-
Friedman, M.H.1
Yergey, A.L.2
Campana, J.E.3
-
81
-
-
77049109598
-
-
Scientific Instrument Services, I. SIMION, Simulation Software for Modeling of Electron and Ion Optics; Ringoes, NJ, 2004.
-
Scientific Instrument Services, I. SIMION, Simulation Software for Modeling of Electron and Ion Optics; Ringoes, NJ, 2004.
-
-
-
-
83
-
-
0037168332
-
+ by Collisional Activation: Evidence of Nonstatistical Behavior
-
+ by Collisional Activation: Evidence of Nonstatistical Behavior. J. Phys. Chem. A 202, 106, 9729-9736.
-
J. Phys. Chem. A
, vol.202
, Issue.106
, pp. 9729-9736
-
-
Chen, Y.J.1
Fenn, P.T.2
Lau, K.C.3
Ng, C.Y.4
Law, C.K.5
Li, W.K.6
-
84
-
-
0036656472
-
Dynamics of Unimolecular Reactions in Gas Phase Deviations from Statistical Behavior
-
Martinez-Nunez E., and Vazquez S.A. Dynamics of Unimolecular Reactions in Gas Phase Deviations from Statistical Behavior. Quimica Nova 25 (2002) 579-588
-
(2002)
Quimica Nova
, vol.25
, pp. 579-588
-
-
Martinez-Nunez, E.1
Vazquez, S.A.2
|