-
6
-
-
5844384312
-
-
D. Davis, S. Fischer. R. Schiff, R. T. Watson, and W. Bollinger. J. Chem. Phys. 63, 1070 (1975).
-
(1975)
J. Chem. Phys.
, vol.63
, pp. 1070
-
-
Davis, D.1
Fischer, S.2
Schiff, R.3
Watson, R.T.4
Bollinger, W.5
-
7
-
-
0006403432
-
-
A. C. Lloyd, K. R. Darnall, A. M. Winer, and J. N. Pitts, J. Phys. Chem. 80, 789 (1976).
-
(1976)
J. Phys. Chem.
, vol.80
, pp. 789
-
-
Lloyd, A.C.1
Darnall, K.R.2
Winer, A.M.3
Pitts, J.N.4
-
13
-
-
22844434328
-
-
J. N. Bradley, W. Hack, K. Hogermann, and H. G. G. Wagner, J. Chem. Soc. Faraday Trans. (1) 69, 1889 (1973).
-
(1973)
J. Chem. Soc. Faraday Trans. (1)
, vol.69
, pp. 1889
-
-
Bradley, J.N.1
Hack, W.2
Hogermann, K.3
Wagner, H.G.G.4
-
21
-
-
12344278746
-
-
W. L. Hase, H. B. Schlegel, V. Balbyshev, and M. Page, J. Phys. Chem. 100, 5354 (1996).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 5354
-
-
Hase, W.L.1
Schlegel, H.B.2
Balbyshev, V.3
Page, M.4
-
22
-
-
0010922186
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, GAUSSIAN 94, Gaussian, Inc., Pittsburgh, PA, 1995.
-
(1995)
GAUSSIAN 94
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.A.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
23
-
-
0029193596
-
-
J. C. Corchado, J. Espinosa-Garcia, W-.P. Hu, I. Rossi, and D. G. Truhlar, J. Phys. Chem. 99, 687 (1995).
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 687
-
-
Corchado, J.C.1
Espinosa-Garcia, J.2
Hu, W.-P.3
Rossi, I.4
Truhlar, D.G.5
-
25
-
-
0000866922
-
-
K. Fukui, Pure Appl. Chem. 54, 1825 (1982); D. G. Truhlar and A. J. Kuppermann, J. Am. Chem. Soc. 93, 1840 (1971).
-
(1982)
Pure Appl. Chem.
, vol.54
, pp. 1825
-
-
Fukui, K.1
-
29
-
-
0011627934
-
-
H. B. Schlegel, J. Chem. Phys. 84, 4530 (1986); C. Sosa and H. B. Schlegel, Int. J. Quantum Chem. 29, 1001 (1986).
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 4530
-
-
Schlegel, H.B.1
-
32
-
-
0011682081
-
-
J. A. Pople and M. Head-Gordon, J. Chem. Phys. 82, 284 (1985); 87, 5968 (1987).
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5968
-
-
-
34
-
-
0003993379
-
-
edited by D. G. Truhlar Plenum, New York
-
M. J. Rothman, L. L. Lohr Jr., C. S. Ewing, and J. R. van Wazer, in Potential Energy Surfaces and Dynamics Calculations, edited by D. G. Truhlar (Plenum, New York, 1981), p. 653; R. Steckler and D. G. Truhlar, J. Chem. Phys. 93, 6570 (1990); D. Heidrich, in The Reaction Path in Chemistry, edited by D. Heidrich (Kluwer, Dordrecht, 1995). p. 1.
-
(1981)
Potential Energy Surfaces and Dynamics Calculations
, pp. 653
-
-
Rothman, M.J.1
Lohr Jr., L.L.2
Ewing, C.S.3
Van Wazer, J.R.4
-
35
-
-
0000649188
-
-
M. J. Rothman, L. L. Lohr Jr., C. S. Ewing, and J. R. van Wazer, in Potential Energy Surfaces and Dynamics Calculations, edited by D. G. Truhlar (Plenum, New York, 1981), p. 653; R. Steckler and D. G. Truhlar, J. Chem. Phys. 93, 6570 (1990); D. Heidrich, in The Reaction Path in Chemistry, edited by D. Heidrich (Kluwer, Dordrecht, 1995). p. 1.
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 6570
-
-
Steckler, R.1
Truhlar, D.G.2
-
36
-
-
0005771624
-
-
edited by D. Heidrich Kluwer, Dordrecht
-
M. J. Rothman, L. L. Lohr Jr., C. S. Ewing, and J. R. van Wazer, in Potential Energy Surfaces and Dynamics Calculations, edited by D. G. Truhlar (Plenum, New York, 1981), p. 653; R. Steckler and D. G. Truhlar, J. Chem. Phys. 93, 6570 (1990); D. Heidrich, in The Reaction Path in Chemistry, edited by D. Heidrich (Kluwer, Dordrecht, 1995). p. 1.
-
(1995)
The Reaction Path in Chemistry
, pp. 1
-
-
Heidrich, D.1
-
37
-
-
0003767850
-
-
edited by M. Baer CRC, Boca Raton, FL
-
D. G. Truhlar, A. D. Isaacson, and B. C. Garrett, in Theory of Chemical Reaction Dynamics, edited by M. Baer (CRC, Boca Raton, FL, 1985), Vol. IV; S. C. Tucker and D. G. Truhlar, in New Theoretical Concepts for Understanding Organic Reactions, edited by J. Bertrán and I. G. Csizmadia (Kluwer, Dordrecht, 1989).
-
(1985)
Theory of Chemical Reaction Dynamics
, vol.4
-
-
Truhlar, D.G.1
Isaacson, A.D.2
Garrett, B.C.3
-
38
-
-
0003905491
-
-
edited by J. Bertrán and I. G. Csizmadia Kluwer, Dordrecht
-
D. G. Truhlar, A. D. Isaacson, and B. C. Garrett, in Theory of Chemical Reaction Dynamics, edited by M. Baer (CRC, Boca Raton, FL, 1985), Vol. IV; S. C. Tucker and D. G. Truhlar, in New Theoretical Concepts for Understanding Organic Reactions, edited by J. Bertrán and I. G. Csizmadia (Kluwer, Dordrecht, 1989).
-
(1989)
New Theoretical Concepts for Understanding Organic Reactions
-
-
Tucker, S.C.1
Truhlar, D.G.2
-
39
-
-
35848953179
-
-
National Bureau of Standards, Washington, D.C.
-
JANAF Thermochemical Tables, 3rd ed., edited by M. W. Chase, C. A. Davies, J. R. Downey, D. J. Frurip, R. A. McDonald, and A. N. Syverud (National Bureau of Standards, Washington, D.C., 1985), Vol. 14.
-
(1985)
JANAF Thermochemical Tables, 3rd Ed.
, vol.14
-
-
Chase, M.W.1
Davies, C.A.2
Downey, J.R.3
Frurip, D.J.4
McDonald, R.A.5
Syverud, A.N.6
-
40
-
-
0042644612
-
-
J. Villà, A. González-Lafont, J. M. Lluch, and J. Bertrán, Mol. Phys. 89, 633 (1996).
-
(1996)
Mol. Phys.
, vol.89
, pp. 633
-
-
Villà, J.1
González-Lafont, A.2
Lluch, J.M.3
Bertrán, J.4
-
41
-
-
0003945128
-
-
University of Minnesota, Minneapolis
-
R. Steckler, Y-. Y. Chuang, E. L. Coitiño, W-. P. Hu, Y-. P. Liu, G. C. Lynch, K. A. Nguyen, C. F. Jackels, M. Z. Gu, I. Rossi, P. Fast, S. Clayton, V. S. Melissas, B. C. Garrett, A. D. Isaacson, and D. G. Truhlar, POLYRATE, Version 7.0, University of Minnesota, Minneapolis, 1996.
-
(1996)
POLYRATE, Version 7.0
-
-
Steckler, R.1
Chuang, Y.Y.2
Coitiño, E.L.3
Hu, W.P.4
Liu, Y.P.5
Lynch, G.C.6
Nguyen, K.A.7
Jackels, C.F.8
Gu, M.Z.9
Rossi, I.10
Fast, P.11
Clayton, S.12
Melissas, V.S.13
Garrett, B.C.14
Isaacson, A.D.15
Truhlar, D.G.16
-
42
-
-
0001392512
-
-
J. Cízek, J. Chem. Phys. 45, 4256 (1966); K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett 157, 479 (1989).
-
(1966)
J. Chem. Phys.
, vol.45
, pp. 4256
-
-
Cízek, J.1
-
43
-
-
0006244148
-
-
J. Cízek, J. Chem. Phys. 45, 4256 (1966); K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett 157, 479 (1989).
-
(1989)
Chem. Phys. Lett
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
44
-
-
33751157732
-
-
P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch, J. Phys. Chem. 98, 11623 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
45
-
-
84873055189
-
-
Wiley, New York
-
W. Hehre, L. Radom, P. Schleyer, and J. Pople, in Ab Initio Molecular Orbital Theory (Wiley, New York, 1986); A. P. Scott and L. Radom, J. Phys. Chem. 100, 16502 (1996).
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.1
Radom, L.2
Schleyer, P.3
Pople, J.4
-
46
-
-
0011083273
-
-
W. Hehre, L. Radom, P. Schleyer, and J. Pople, in Ab Initio Molecular Orbital Theory (Wiley, New York, 1986); A. P. Scott and L. Radom, J. Phys. Chem. 100, 16502 (1996).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16502
-
-
Scott, A.P.1
Radom, L.2
-
58
-
-
0001863950
-
-
edited by C. F. Bernasconi Wiley, New York
-
M. M. Kreevoy and D. G. Truhlar, in Investigation of Rates and Mechanisms of Reactions, 4th ed., edited by C. F. Bernasconi (Wiley, New York, 1986), Part I, p. 13.
-
(1986)
Investigation of Rates and Mechanisms of Reactions, 4th Ed.
, Issue.1 PART
, pp. 13
-
-
Kreevoy, M.M.1
Truhlar, D.G.2
|