-
3
-
-
84986513644
-
-
Field, M. J.; Bash, P. A.; Karplus, M. J. Comput. Chem. 1990, 11, 700.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 700
-
-
Field, M.J.1
Bash, P.A.2
Karplus, M.3
-
5
-
-
0000204495
-
-
Kawamura-Kuribayashi, H.; Koga, N.; Morokuma, K. J. Am. Chem. Soc. 1992, 114, 8687.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 8687
-
-
Kawamura-Kuribayashi, H.1
Koga, N.2
Morokuma, K.3
-
6
-
-
0000541711
-
-
Maseras, F.; Koga, N.; Morokuma, K. Organometallics 1994, 13, 4008.
-
(1994)
Organometallics
, vol.13
, pp. 4008
-
-
Maseras, F.1
Koga, N.2
Morokuma, K.3
-
8
-
-
0001112026
-
-
Eckert, J.; Kubas, G. J.; Hall, J. H.; Hay, P. J.; Boyle, C. M. J. Am. Chem. Soc. 1990, 112, 2324.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 2324
-
-
Eckert, J.1
Kubas, G.J.2
Hall, J.H.3
Hay, P.J.4
Boyle, C.M.5
-
12
-
-
21644442950
-
-
Kitaura, K.; Obara, S.; Morokuma, K. J. Am. Chem. Soc. 1981, 103, 2891.
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 2891
-
-
Kitaura, K.1
Obara, S.2
Morokuma, K.3
-
13
-
-
0001575416
-
-
Obara, S.; Kitaura, K.; Morokuma, K. J. Am. Chem. Soc. 1984, 106, 7482.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 7482
-
-
Obara, S.1
Kitaura, K.2
Morokuma, K.3
-
17
-
-
0042641828
-
-
Kitaura, K.; Obara, S.; Morokuma, K. Chem. Phys. Lett. 1981, 77, 452.
-
(1981)
Chem. Phys. Lett.
, vol.77
, pp. 452
-
-
Kitaura, K.1
Obara, S.2
Morokuma, K.3
-
19
-
-
37049108722
-
-
Fornies, J.; Green, M.; Spencer, J. L.; Stone, F. G. A. J. Chem. Soc., Dalton Trans. 1977, 1006.
-
(1977)
J. Chem. Soc., Dalton Trans.
, pp. 1006
-
-
Fornies, J.1
Green, M.2
Spencer, J.L.3
Stone, F.G.A.4
-
21
-
-
0000318001
-
-
Packett, D. L.; Jensen, C. M.; Cowan, R. L.; Strouse, C. E.; Trogler, W. C. Inorg. Chem. 1985, 24, 3578.
-
(1985)
Inorg. Chem.
, vol.24
, pp. 3578
-
-
Packett, D.L.1
Jensen, C.M.2
Cowan, R.L.3
Strouse, C.E.4
Trogler, W.C.5
-
22
-
-
0000942935
-
-
Yoshida, T.; Yamagata, T.; Tulip, T. H.; Ibers, J. A.; Otsuka, S. J. Am. Chem. Soc. 1978, 100, 2063.
-
(1978)
J. Am. Chem. Soc.
, vol.100
, pp. 2063
-
-
Yoshida, T.1
Yamagata, T.2
Tulip, T.H.3
Ibers, J.A.4
Otsuka, S.5
-
26
-
-
0024281561
-
-
Daniel, C.; Koga, N.; Han, J.; Fu, X. Y.; Morokuma, K. J. Am. Chem. Soc. 1988, 110, 3773.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 3773
-
-
Daniel, C.1
Koga, N.2
Han, J.3
Fu, X.Y.4
Morokuma, K.5
-
27
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Wong, M. W.; Foresman, J. B.; Robb, M. A.; Head-Gordon, M.; 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
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Wong, M.W.6
Foresman, J.B.7
Robb, M.A.8
Head-Gordon, M.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..
-
28
-
-
0004237053
-
-
QCPE, Bloomington, IN
-
Allinger, N. L. MM3(92), QCPE, Bloomington, IN, 1992.
-
(1992)
MM3(92)
-
-
Allinger, N.L.1
-
31
-
-
0003568278
-
-
Shaefer, H. F., Ed.; Plenum Press: New York
-
Dunning, T. H.; Hay, P. J. In Methods of Electronic Structure Theory; Shaefer, H. F., Ed.; Plenum Press: New York, 1977; p 1.
-
(1977)
Methods of Electronic Structure Theory
, pp. 1
-
-
Dunning, T.H.1
Hay, P.J.2
-
32
-
-
0042041206
-
-
Rappé, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A., III; Skiff, W. M. J. Am. Chem Soc. 1992, 114, 10024.
-
(1992)
J. Am. Chem Soc.
, vol.114
, pp. 10024
-
-
Rappé, A.K.1
Casewit, C.J.2
Colwell, K.S.3
Goddard III, W.A.4
Skiff, W.M.5
-
35
-
-
85088542915
-
-
2, Computational Program Package, developed and distributed by the Molecular Simulations Inc., Burlington, MA
-
2, Computational Program Package, developed and distributed by the Molecular Simulations Inc., Burlington, MA.
-
-
-
|