-
4
-
-
58149366736
-
-
Frenklach, M.; Clary, D. W.; Gardiner, W. C.; Stein, S. E. 20th Symp. (Int.) Combust. Proc. 1985, 887.
-
(1985)
20th Symp. (Int.) Combust. Proc.
, pp. 887
-
-
Frenklach, M.1
Clary, D.W.2
Gardiner, W.C.3
Stein, S.E.4
-
5
-
-
0028542437
-
-
Yu, T.; Lin, M. C.; Melius, C. F. Int. J. Chem. Kinet. 1994, 26, 1095.
-
(1994)
Int. J. Chem. Kinet.
, vol.26
, pp. 1095
-
-
Yu, T.1
Lin, M.C.2
Melius, C.F.3
-
6
-
-
4043097714
-
-
Frank, P.; Herzler, J.; Just, Th.; Wahl, C. 24th Symp. (Int.) Combust. Proc. 1992, 965.
-
(1992)
24th Symp. (Int.) Combust. Proc.
, pp. 965
-
-
Frank, P.1
Herzler, J.2
Just, Th.3
Wahl, C.4
-
13
-
-
33845377214
-
-
Kiefer, J. H.; Mizerka, L. J.; Patel, M. R.; Wei, H.-C. J. Phys. Chem. 1985, 89, 2013.
-
(1985)
J. Phys. Chem.
, vol.89
, pp. 2013
-
-
Kiefer, J.H.1
Mizerka, L.J.2
Patel, M.R.3
Wei, H.-C.4
-
15
-
-
0001323179
-
-
Dewar, M. J. S.; Gardiner, W. C.; Frenklach, M.; Oref, I. J. Am. Chem. Soc. 1987, 109, 4456.
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 4456
-
-
Dewar, M.J.S.1
Gardiner, W.C.2
Frenklach, M.3
Oref, I.4
-
17
-
-
36449008175
-
-
Mebel, A. M.; Morokuma, K.; Lin, M. C. J. Chem. Phys. 1995, 103, 7414.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 7414
-
-
Mebel, A.M.1
Morokuma, K.2
Lin, M.C.3
-
18
-
-
0030134159
-
-
Liu, R.; Morokuma, K.; Mebel, A. M.; Lin, M. C. J. Phys. Chem. 1996, 100, 9314.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 9314
-
-
Liu, R.1
Morokuma, K.2
Mebel, A.M.3
Lin, M.C.4
-
19
-
-
0001304349
-
-
Yokoyama, A.; Zhao, X.; Hintsa, E. J.; Continetti, R. E.; Lee, Y. T. J. Chem. Phys. 1990, 92, 4222.
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 4222
-
-
Yokoyama, A.1
Zhao, X.2
Hintsa, E.J.3
Continetti, R.E.4
Lee, Y.T.5
-
20
-
-
0041401966
-
-
(a) Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A. J. Chem. Phys. 1991, 94, 7221.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7221
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
21
-
-
36549094943
-
-
(b) Pople, J. A.; Head-Gordon, M.; Fox, D. J.; Raghavachari, K.; Curtiss, L. A. J. Chem. Phys. 1989, 90, 5622.
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 5622
-
-
Pople, J.A.1
Head-Gordon, M.2
Fox, D.J.3
Raghavachari, K.4
Curtiss, L.A.5
-
22
-
-
0000664876
-
-
(c) Curtiss, L. A.; Jones, C.; Trucks, G. W.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 1990, 93, 2537.
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 2537
-
-
Curtiss, L.A.1
Jones, C.2
Trucks, G.W.3
Raghavachari, K.4
Pople, J.A.5
-
24
-
-
77956779984
-
-
(b) Ibid. 1992, 96, 2155.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 2155
-
-
-
25
-
-
0001161681
-
-
(c) Ibid. 1992, 97, 9173.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 9173
-
-
-
26
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
29
-
-
84880653336
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S .; Gonzales, C.; Martin, R. L.; Fox, D. J.; DeFrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. GAUSSIAN 92/DFT; Gaussian, Inc.: Pittsburgh, PA, 1993.
-
(1993)
GAUSSIAN 92/DFT
-
-
Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schlegel, H.B.8
Robb, M.A.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzales, C.15
Martin, R.L.16
Fox, D.J.17
DeFrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
-
30
-
-
0004251509
-
-
University of Sussex: Falmer, Brighton
-
Werner, H.-J.; Knowles, P. J. MOLPRO94; University of Sussex: Falmer, Brighton, 1994.
-
(1994)
MOLPRO94
-
-
Werner, H.-J.1
Knowles, P.J.2
-
31
-
-
0029639166
-
-
Davico, G. E.; Bierbaum, V. M.; DePuy, C. H.; Ellison, G. B.; Squires, R. R. J. Am. Chem. Soc. 1995, 117, 2590.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 2590
-
-
Davico, G.E.1
Bierbaum, V.M.2
DePuy, C.H.3
Ellison, G.B.4
Squires, R.R.5
-
32
-
-
33751158248
-
-
Diau, E. W. G.; Yu, T.; Wagner, M. G. A.; Lin, M. C. J. Phys. Chem. 1994, 98, 4034.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 4034
-
-
Diau, E.W.G.1
Yu, T.2
Wagner, M.G.A.3
Lin, M.C.4
-
35
-
-
0001723473
-
-
Hsu, C.-C.; Mebel, A. M.; Lin, M. C. J. Chem. Phys. 1996, 105, 2346.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 2346
-
-
Hsu, C.-C.1
Mebel, A.M.2
Lin, M.C.3
-
36
-
-
0030577125
-
-
Mebel, A. M.; Diau, E. W. G.; Lin, M. C.; Morokuma, K. J. Am. Chem. Soc. 1996, 118, 9759.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 9759
-
-
Mebel, A.M.1
Diau, E.W.G.2
Lin, M.C.3
Morokuma, K.4
|