-
1
-
-
33947085285
-
-
(a) Goddard, W. A., III: Dunning, T. H., Jr.; Hunt, W. J.; Hay, P. J. Acc. Chem. Res. 1973, 6, 368.
-
(1973)
Acc. Chem. Res.
, vol.6
, pp. 368
-
-
Goddard III, W.A.1
Dunning Jr., T.H.2
Hunt, W.J.3
Hay, P.J.4
-
5
-
-
0011583474
-
-
(c) Wilson, C. W., Jr.; Goddard, W. A., III. J. Chem. Phys. 1969, 5, 716.
-
(1969)
J. Chem. Phys.
, vol.5
, pp. 716
-
-
Wilson Jr., C.W.1
Goddard III, W.A.2
-
8
-
-
0003993379
-
-
Truhlar, D. G., Ed.; Plenum Press: New York
-
(f) Rappé, A. K.; Goddard, W. A., III. Potential Energy Surfaces and Dynamics Calculations; Truhlar, D. G., Ed.; Plenum Press: New York, 1981; pp 661-684.
-
(1981)
Potential Energy Surfaces and Dynamics Calculations
, pp. 661-684
-
-
Rappé, A.K.1
Goddard III, W.A.2
-
12
-
-
0028378092
-
-
(j) Bierwagen, E. P.; Bercaw, J. E.; Goddard, W. A., III. J. Am. Chem. Soc. 1994, 116, 1481.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 1481
-
-
Bierwagen, E.P.1
Bercaw, J.E.2
Goddard III, W.A.3
-
13
-
-
0000354265
-
-
Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York
-
Bachrach, S. M. Rev. Comput. Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York, 1993; Vol. 5, p 171.
-
(1993)
Rev. Comput. Chemistry
, vol.5
, pp. 171
-
-
Bachrach, S.M.1
-
14
-
-
36148995600
-
-
(a) Reed, A. E.; Weinstock, R. B.; Weinhold, F. J. Chem. Phys. 1985, 83, 735.
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 735
-
-
Reed, A.E.1
Weinstock, R.B.2
Weinhold, F.3
-
16
-
-
0003495717
-
-
Clarendon Press: Oxford, and references therein
-
Bader, R. F. W. Atoms in Molecules: Clarendon Press: Oxford, 1994 and references therein.
-
(1994)
Atoms in Molecules
-
-
Bader, R.F.W.1
-
21
-
-
0003816106
-
-
Springer-Verlag: Berlin Heidelberg
-
For the general reference to the second quantization and operator algebra, refer to, for instance: (a) Surjan. P. R. Second Quantized Approach to Quantum Chemistry: Springer-Verlag: Berlin Heidelberg. 1989.
-
(1989)
Second Quantized Approach to Quantum Chemistry
-
-
Surjan, P.R.1
-
23
-
-
0002241380
-
-
(a) Giambiagi, M.; de Giambiagi, M. S.; Grempel, D. R.; Heymann, C. D. J. Chim. Phys. 1975, 72, 15.
-
(1975)
J. Chim. Phys.
, vol.72
, pp. 15
-
-
Giambiagi, M.1
De Giambiagi, M.S.2
Grempel, D.R.3
Heymann, C.D.4
-
26
-
-
0000850030
-
-
Giambiagi, M. S.; Giambiagi, M.; Jorge, F. E. Theor. Chim. Acta 1985, 68, 337.
-
(1985)
Theor. Chim. Acta
, vol.68
, pp. 337
-
-
Giambiagi, M.S.1
Giambiagi, M.2
Jorge, F.E.3
-
28
-
-
33751158301
-
-
Mundim, K. C.; Giambiagi, M.; de Giambiagi, M. S. J. Phys. Chem. 1994, 98, 6118.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 6118
-
-
Mundim, K.C.1
Giambiagi, M.2
De Giambiagi, M.S.3
-
29
-
-
0010922186
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Peterson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewsku, V. G.; Ortiz, J. V.; Foresman. J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision D.I; Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision D.1
-
-
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.8
Peterson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewsku, 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..
-
33
-
-
85034306651
-
-
The URI is http://www.wag.caltech.edu.
-
-
-
-
34
-
-
84981583592
-
-
We developed Prolog and Mathematica (c) program for the derivation (unpublished). See. for example: Gotoh, M.; Mori, K.; Ito, R. Int. J. Quantum Chem. 1995, 56, 163.
-
(1995)
Int. J. Quantum Chem.
, vol.56
, pp. 163
-
-
Gotoh, M.1
Mori, K.2
Ito, R.3
|