-
2
-
-
84913023218
-
-
Atkinson, R.; Baulch, D. L.; Cox, R. A.; Hampson, R. F., Jr.; Kerr, J. A.; Troe, J. J. Phys. Chem. Ref. Data 1992, 21, 1125.
-
(1992)
J. Phys. Chem. Ref. Data
, vol.21
, pp. 1125
-
-
Atkinson, R.1
Baulch, D.L.2
Cox, R.A.3
Hampson Jr., R.F.4
Kerr, J.A.5
Troe, J.6
-
3
-
-
5244235840
-
-
Weast, R. C., Ed.; CRC Press: Boca Raton, FL
-
Kerr, J. A. In Handbook of Physics and Chemistry; Weast, R. C., Ed.; CRC Press: Boca Raton, FL, 1988-89; pp F-184.
-
(1988)
Handbook of Physics and Chemistry
-
-
Kerr, J.A.1
-
5
-
-
0041401966
-
-
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
-
7
-
-
84873055189
-
-
Wiley: New York
-
For the description of the UMP2 method and basis sets, see: Hehre, W.; Radom, L.; Schleyer, P. v. R.; Pople, J. A. Ab Initio Molecular Orbital Theory; Wiley: New York, 1986.
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
-
10
-
-
0345491105
-
-
Lee, C., Yang, W. Parr, R. G. Phys. Rev. 1988, B37, 785-789.
-
(1988)
Phys. Rev.
, vol.B37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
11
-
-
0011682081
-
-
Pople, J. A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys. 1987, 87, 5768.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5768
-
-
Pople, J.A.1
Head-Gordon, M.2
Raghavachari, K.3
-
13
-
-
0000372342
-
-
(a) Mebel, A. M.; Morokuma, K.; Lin, M. C. J. Chem. Phys. 1994, 101, 3916.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 3916
-
-
Mebel, A.M.1
Morokuma, K.2
Lin, M.C.3
-
14
-
-
33751155672
-
-
(b) Mebel, A. M.; Morokuma, K.; Lin, M. C.; Melius, C. F. J. Phys. Chem. 1995, 99, 1900.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 1900
-
-
Mebel, A.M.1
Morokuma, K.2
Lin, M.C.3
Melius, C.F.4
-
15
-
-
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., Gonzalez, 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
Gonzalez, 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..
-
16
-
-
33751155672
-
-
(a) Mebel, A. M.; Morokuma, K.; Lin, M. C.; Melius, C. F. J. Phys. Chem. 1995, 99, 1900.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 1900
-
-
Mebel, A.M.1
Morokuma, K.2
Lin, M.C.3
Melius, C.F.4
-
17
-
-
5244233827
-
-
(b) Diau, E. W. G.; Lin, M. C.; He, Y.; Melius, C. F. Prog. Energy Combust. Sci. 1995, 1, 21.
-
(1995)
Prog. Energy Combust. Sci.
, vol.1
, pp. 21
-
-
Diau, E.W.G.1
Lin, M.C.2
He, Y.3
Melius, C.F.4
-
19
-
-
0000372342
-
-
Mebel, A. M.; Morokuma, K.; Lin, M. C. J. Chem. Phys. 1994, 101, 3916.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 3916
-
-
Mebel, A.M.1
Morokuma, K.2
Lin, M.C.3
-
20
-
-
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
-
21
-
-
0001481833
-
-
Mebel, A. M.; Diau, E. W. G.; Lin, M. C.; Morokuma, K. J. Phys. Chem. 1996, 100, 7517.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 7517
-
-
Mebel, A.M.1
Diau, E.W.G.2
Lin, M.C.3
Morokuma, K.4
-
24
-
-
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
-
26
-
-
0000100968
-
JANAF Thermochemical Tables
-
Chase, M. W., Jr.; Davies, C. A.; Downey, J. R., Jr.; Frurip, D. J.; McDonald, R. A.; Syverud, A. N. JANAF Thermochemical Tables, J. Phys. Chem. Ref. Data 1985, 14, Suppl. 1.
-
(1985)
J. Phys. Chem. Ref. Data
, vol.14
, Issue.1 SUPPL.
-
-
Chase Jr., M.W.1
Davies, C.A.2
Downey Jr., J.R.3
Frurip, D.J.4
McDonald, R.A.5
Syverud, A.N.6
|