-
1
-
-
0002116224
-
-
JAI Press: Greenwich, CT
-
Schatz, G.C.; Sokolovski, D.; Connor, J.N.L. Advances in Molecular Vibrations and Collision Dynamics; JAI Press: Greenwich, CT, 1994; Vol. 2B, pp 1-26.
-
(1994)
Advances in Molecular Vibrations and Collision Dynamics
, vol.2 B
, pp. 1-26
-
-
Schatz, G.C.1
Sokolovski, D.2
Connor, J.N.L.3
-
2
-
-
0001581675
-
-
Bondi, D.K.; Connor, J.N.L.; Manz, J.; Römelt, J. Mol. Phys. 1983, 50, 467.
-
(1983)
Mol. Phys.
, vol.50
, pp. 467
-
-
Bondi, D.K.1
Connor, J.N.L.2
Manz, J.3
Römelt, J.4
-
3
-
-
0033559993
-
-
Dobbyn, A.J.; Connor, J.N.L.; Besley, N.A.; Knowles, P.J.; Schatz, G.C. Phys. Chem. Chem. Phys. 1999, 1, 957.
-
(1999)
Phys. Chem. Chem. Phys.
, vol.1
, pp. 957
-
-
Dobbyn, A.J.1
Connor, J.N.L.2
Besley, N.A.3
Knowles, P.J.4
Schatz, G.C.5
-
7
-
-
17744371869
-
-
Isborn, C.; Hrovat, D.A.; Borden, W.T.; Mayer, J.M.; Carpenter, B.K.J. Am. Chem. Soc. 2005, 127, 5794.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 5794
-
-
Isborn, C.1
Hrovat, D.A.2
Borden, W.T.3
Mayer, J.M.4
Carpenter, B.K.5
-
8
-
-
21744439442
-
-
Taatjes, C.A.; Hansen, N.; McIlroy, A.; Miller, J.A.; Senosiain, J.P.; Klippenstein, S.J.; Qi, F.; Sheng, L.S.; Zhang, Y.M.; Cool, T.A.; Wang, J.; Westmoreland, P.R.; Law, M.E.; Kasper, T.; Kohse-Hoinghaus, K. Science 2005, 208, 1887.
-
(2005)
Science
, vol.208
, pp. 1887
-
-
Taatjes, C.A.1
Hansen, N.2
McIlroy, A.3
Miller, J.A.4
Senosiain, J.P.5
Klippenstein, S.J.6
Qi, F.7
Sheng, L.S.8
Zhang, Y.M.9
Cool, T.A.10
Wang, J.11
Westmoreland, P.R.12
Law, M.E.13
Kasper, T.14
Kohse-Hoinghaus, K.15
-
9
-
-
84964253306
-
-
Miller, J.A.; Pilling, M.J.; Troe, J. Proc. Combust. Inst. 2005, 30, 43.
-
(2005)
Proc. Combust. Inst.
, vol.30
, pp. 43
-
-
Miller, J.A.1
Pilling, M.J.2
Troe, J.3
-
10
-
-
34447123920
-
-
Poppe, D.; Brauers, T.; Dorn, H.-P.; Karl, M.; Mentel, T.; Schlosser, E.; Tillmann, R.; Wegener, R.; Wahner, A.J. Atmos. Chem. 2007, 57, 203.
-
(2007)
J. Atmos. Chem.
, vol.57
, pp. 203
-
-
Poppe, D.1
Brauers, T.2
Dorn, H.-P.3
Karl, M.4
Mentel, T.5
Schlosser, E.6
Tillmann, R.7
Wegener, R.8
Wahner, A.9
-
11
-
-
33645674676
-
-
Taatjes, C.A.; Hansen, N.; Miller, J.A.; Cool, T.A.; Wang, J.; Westmoreland, P.R.; Law, M.E.; Kasper, T.; Kohse-Hinghaus, K.J. Phys. Chem. A 2006, 110, 3254.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 3254
-
-
Taatjes, C.A.1
Hansen, N.2
Miller, J.A.3
Cool, T.A.4
Wang, J.5
Westmoreland, P.R.6
Law, M.E.7
Kasper, T.8
Kohse-Hinghaus, K.9
-
12
-
-
33846233869
-
-
Szo{double acute}ri, M.; Fittschen, C.; Csizmadia, I.G.; Viskolcz, B.J. Chem. Theory Comput. 2006, 2, 1575.
-
(2006)
J. Chem. Theory Comput.
, vol.2
, pp. 1575
-
-
Szori, M.1
Fittschen, C.2
Csizmadia, I.G.3
Viskolcz, B.4
-
13
-
-
0001287689
-
-
Alvarez-Idaboy, J.R.; Diaz-Acosta, I.; Vivier-Bunge, J.R.J. Comput. Chem. 1998, 8, 811.
-
(1998)
J. Comput. Chem.
, vol.8
, pp. 811
-
-
Alvarez-Idaboy, J.R.1
Diaz-Acosta, I.2
Vivier-Bunge, J.R.3
-
14
-
-
0032800064
-
-
Diaz-Acosta, I.; Alvarez-Idaboy, J.R.; Vivier-Bunge, J. Int. J. Chem. Kinet. 1999, 31, 29.
-
(1999)
Int. J. Chem. Kinet.
, vol.31
, pp. 29
-
-
Diaz-Acosta, I.1
Alvarez-Idaboy, J.R.2
Vivier-Bunge, J.3
-
15
-
-
0034685523
-
-
Alvarez-Idaboy, J.R.; Mora-Diez, N.; Vivier-Bunge, A.J. Am. Chem. Soc. 2000, 122, 3715.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 3715
-
-
Alvarez-Idaboy, J.R.1
Mora-Diez, N.2
Vivier-Bunge, A.3
-
17
-
-
64349099767
-
-
Zhou, C.-W.; Li, Z.-R.; Li, X.-Y. J. Phys. Chem. A 2009, 113, 2372.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 2372
-
-
Zhou, C.-W.1
Li, Z.-R.2
Li, X.-Y.3
-
18
-
-
63849260429
-
-
Huynh, L.K.; Zhang, H.R.; Zhang, S.; Eddings, E.; Sarofim, A.; Law, M.E.; Westmoreland, P.R.; Truong, T.N.J. Phys. Chem. A 2009, 113, 3177.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 3177
-
-
Huynh, L.K.1
Zhang, H.R.2
Zhang, S.3
Eddings, E.4
Sarofim, A.5
Law, M.E.6
Westmoreland, P.R.7
Truong, T.N.8
-
20
-
-
58149234140
-
-
Tishchenko, O.; Zheng, J.; Truhlar, D.G.J. Chem. Theory Comput. 2008, 4, 1208.
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 1208
-
-
Tishchenko, O.1
Zheng, J.2
Truhlar, D.G.3
-
23
-
-
38349088622
-
-
Werner, H.-J.; Kállay, M.; Gauss, J.J. Chem. Phys. 2008, 128, 034305.
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 034305
-
-
Werner, H.-J.1
Kállay, M.2
Gauss, J.3
-
25
-
-
0000217083
-
-
Lee, T.J.; Rendell, A.P.; Taylor, P.R.J. Phys. Chem. 1990, 94, 5463.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5463
-
-
Lee, T.J.1
Rendell, A.P.2
Taylor, P.R.3
-
26
-
-
36449001370
-
-
Knowles, P.J.; Hampel, C.; Werner, H.-J. J. Chem. Phys. 1993, 99, 5219.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 5219
-
-
Knowles, P.J.1
Hampel, C.2
Werner, H.-J.3
-
27
-
-
36449006622
-
-
Watts, J.; Gauss, J.; Bartlett, R.J.J. Chem. Phys. 1993, 98, 8718.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 8718
-
-
Watts, J.1
Gauss, J.2
Bartlett, R.J.3
-
32
-
-
0000724478
-
-
Helgaker, T.; Klopper, W.; Koch, H.; Noga, J.J. Chem. Phys. 1997, 106, 9639.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 9639
-
-
Helgaker, T.1
Klopper, W.2
Koch, H.3
Noga, J.4
-
33
-
-
4143095330
-
-
Kendall, R.A.; Dunning, T.H.; Harrison, R.J.J. Chem. Phys. 1992, 96, 6796.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning, T.H.2
Harrison, R.J.3
-
34
-
-
37149036190
-
-
Adler, T.B.; Knizia, G.; Werner, H.-J. J. Chem. Phys. 2007, 127, 221106.
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 221106
-
-
Adler, T.B.1
Knizia, G.2
Werner, H.-J.3
-
35
-
-
0005079653
-
-
Olsen, J.; Roos, B.O.; Jørgensen, P.; Jensen, H.J.A. J. Chem. Phys. 1988, 89, 2185.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 2185
-
-
Olsen, J.1
Roos, B.O.2
Jørgensen, P.3
Jensen, H.J.A.4
-
36
-
-
0038085858
-
-
See: (accessed Jun 24, 2009)
-
Werner, H.-J.; Knowles, P.J.; Lindh, R.; Manby, F.R.; Schütz, M. et al. MOLPRO, Version 2008.1, a package of ab initio programs; 2008. See: http://www.molpro.net (accessed Jun 24, 2009).
-
(2008)
MOLPRO, Version 2008.1, a package of ab initio programs
-
-
Werner, H.-J.1
Knowles, P.J.2
Lindh, R.3
Manby, F.R.4
Schütz, M.5
-
37
-
-
0035880942
-
MRCC, a string-based quantum chemical program suite
-
See also: Kállay, M.; Surján, P. R as well as (accessed Jun 24, 2009)
-
Kállay, M. MRCC, a string-based quantum chemical program suite. See also: Kállay, M.; Surján, P.R.J. Chem. Phys. 2001, 115, 2945. as well as www.mrcc.hu (accessed Jun 24, 2009).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 2945
-
-
Kállay, M.1
-
38
-
-
0001602138
-
-
Silvi, B.; Labarbe, P.; Perchard, J.P. Spectrochim. Acta A 1973, 29, 263.
-
(1973)
Spectrochim. Acta A
, vol.29
, pp. 263
-
-
Silvi, B.1
Labarbe, P.2
Perchard, J.P.3
-
40
-
-
73449103857
-
-
NIST Computational Chemistry Comparison and Benchmark Database, NIST Standard Reference Database Number 101 Release 14, Sept 2006, Editor: Russell D. Johnson, III. (accessed Jun 24)
-
NIST Computational Chemistry Comparison and Benchmark Database, NIST Standard Reference Database Number 101 Release 14, Sept 2006, Editor: Russell D. Johnson, III. http://srdata.nist.gov/cccbdb (accessed Jun 24, 2009).
-
(2009)
-
-
-
41
-
-
0000543185
-
-
Baboul, A.G.; Curtiss, L.A.; Redfern, P.C.; Raghavachari, K.J. Chem. Phys. 1999, 110, 7650.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 7650
-
-
Baboul, A.G.1
Curtiss, L.A.2
Redfern, P.C.3
Raghavachari, K.4
-
42
-
-
34147221052
-
-
Szo{double acute}ri, M.; Abou-Abdo, T.; Fittschen, C.; Csizmadia, I.G.; Viskolcz, B. Phys. Chem. Chem. Phys. 2007, 9, 1931.
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, pp. 1931
-
-
Szori, M.1
Abou-Abdo, T.2
Fittschen, C.3
Csizmadia, I.G.4
Viskolcz, B.5
-
43
-
-
15744375697
-
-
Gaussian, Inc.: Walling- ford, CT
-
Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Montgomery, J.A., Jr.; 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.; Pople, J.A. Gaussian 03, Revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
-
(2004)
Gaussian 03, Revision 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 J.A., Jr.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..
-
45
-
-
0000021174
-
-
Chuang, Y.-Y.; Coitio, E.L.; Truhlar, D.G.J. Phys. Chem. A 2000, 104, 446.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 446
-
-
Chuang, Y.-Y.1
Coitio, E.L.2
Truhlar, D.G.3
-
46
-
-
8344254470
-
-
Szalay, P.G.; Vázquez, J.; Simmons, C.; Stanton, J.F.J. Chem. Phys. 2004, 121, 7624.
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 7624
-
-
Szalay, P.G.1
Vázquez, J.2
Simmons, C.3
Stanton, J.F.4
-
47
-
-
0003575349
-
-
IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry Web Version February. (accessed Jun 24, 2009)
-
Atkinson, R.; Baulch, D.L.; Cox, R.A.; Crowley, J.N.; Hampson, R.F.; Hynes, R.G.; Jenkin, M.E.; Kerr, J.A.; Rossi, M.J.; Troe, J. Summary of Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry Web Version February 2006. http://www.iupac-kinetic.ch.cam.ac.uk/ (accessed Jun 24, 2009).
-
(2006)
Summary of Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry
-
-
Atkinson, R.1
Baulch, D.L.2
Cox, R.A.3
Crowley, J.N.4
Hampson, R.F.5
Hynes, R.G.6
Jenkin, M.E.7
Kerr, J.A.8
Rossi, M.J.9
Troe, J.10
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