-
7
-
-
0000073673
-
-
edited by K. N. Rao Academic, New York
-
Ch. Jungen and A. J. Merer, in Molecular Spectroscopy: Modern Research, edited by K. N. Rao (Academic, New York, 1976), Vol. 2, p. 127.
-
(1976)
Molecular Spectroscopy: Modern Research
, vol.2
, pp. 127
-
-
Jungen, Ch.1
Merer, A.J.2
-
9
-
-
36549101311
-
-
T. J. Lee, D. J. Fox, H. F. Schaefer, and R. M. Pitzer, J. Chem. Phys. 81, 356 (1984).
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 356
-
-
Lee, T.J.1
Fox, D.J.2
Schaefer, H.F.3
Pitzer, R.M.4
-
12
-
-
0006164250
-
-
Y. Yamaguchi, I. L. Alberts, J. D. Goddard, and H. F. Schaefer, Chem. Phys. 147, 309 (1990).
-
(1990)
Chem. Phys.
, vol.147
, pp. 309
-
-
Yamaguchi, Y.1
Alberts, I.L.2
Goddard, J.D.3
Schaefer, H.F.4
-
13
-
-
36449006655
-
-
N. A. Burton, Y. Yamaguchi, I. L. Alberts, and H. F. Schaefer, J. Chem. Phys. 95, 7466 (1991).
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 7466
-
-
Burton, N.A.1
Yamaguchi, Y.2
Alberts, I.L.3
Schaefer, H.F.4
-
14
-
-
0001542602
-
-
T. D. Crawford, J. F. Stanton, W. D. Allen, and H. F. Schaefer, J. Chem. Phys. 107, 10626 (1997).
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 10626
-
-
Crawford, T.D.1
Stanton, J.F.2
Allen, W.D.3
Schaefer, H.F.4
-
18
-
-
0004142379
-
-
Department of Chemistry Report, University of Alberta, Edmonton, Alberta, Canada
-
S. Huzinaga, "Approximate atomic functions. II," Department of Chemistry Report, University of Alberta, Edmonton, Alberta, Canada, 1971.
-
(1971)
Approximate Atomic Functions. II
-
-
Huzinaga, S.1
-
23
-
-
0006244148
-
-
K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gorden, 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-Gorden, M.4
-
27
-
-
0001212624
-
-
H. Koch, H. J. Aa. Jensen, P. Jørgensen, and T. U. Helgaker, J. Chem. Phys. 93, 3345 (1990).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 3345
-
-
Koch, H.1
Jensen, H.J.Aa.2
Jørgensen, P.3
Helgaker, T.U.4
-
32
-
-
0001685342
-
-
edited by H. F. Schaefer Plenum, New York
-
P. Pulay, in Modern Theoretical Chemistry, edited by H. F. Schaefer (Plenum, New York, 1977), Vol. 4, pp. 153-185.
-
(1977)
Modern Theoretical Chemistry
, vol.4
, pp. 153-185
-
-
Pulay, P.1
-
33
-
-
0003418034
-
-
Oxford University Press, New York
-
Y. Yamaguchi, Y. Osamura, J. D. Goddard, and H. F. Schaefer, A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory (Oxford University Press, New York, 1994.)
-
(1994)
A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory
-
-
Yamaguchi, Y.1
Osamura, Y.2
Goddard, J.D.3
Schaefer, H.F.4
-
34
-
-
0347698513
-
-
PSITECH, Inc., Watkinsville, GA, 30677, USA
-
PSI 2.0.8. C. L. Janssen, E. T. Seidl, G. E. Scuseria, T. P. Hamilton, Y. Yamaguchi, R. B. Remington, Y. Xie, G. Vacek, C. D. Sherrill, T. D. Crawford, J. T. Fermann, W. D. Allen, B. R. Brooks, G. B. Fitzgerald, D. J. Fox, J. F. Gaw, N. C. Handy, W. D. Laidig, T. J. Lee, R. M. Pitzer, J. E. Rice, P. Saxe, A. C. Scheiner, and H. F. Schaefer, PSITECH, Inc., Watkinsville, GA, 30677, USA, 1994.
-
(1994)
-
-
Janssen, C.L.1
Seidl, E.T.2
Scuseria, G.E.3
Hamilton, T.P.4
Yamaguchi, Y.5
Remington, R.B.6
Xie, Y.7
Vacek, G.8
Sherrill, C.D.9
Crawford, T.D.10
Fermann, J.T.11
Allen, W.D.12
Brooks, B.R.13
Fitzgerald, G.B.14
Fox, D.J.15
Gaw, J.F.16
Handy, N.C.17
Laidig, W.D.18
Lee, T.J.19
Pitzer, R.M.20
Rice, J.E.21
Saxe, P.22
Scheiner, A.C.23
Schaefer, H.F.24
more..
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0347067882
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note
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ACES II, J. F. Stanton, J. Gauss, W. J. Lauderdale, J. D. Watts, and R. J. Bartlett. The package also contains modified versions of the MOLECULE Gaussian integral program of J. Almlöf and P. R. Taylor, the ABACUS integral derivative program written by T. U. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and P. R. Taylor, and the PROPS property evaluation integral code of P. R. Taylor.
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