-
1
-
-
0003849697
-
-
edited by O. Chalvet Reidel, Dordrecht
-
Y. Ellinger, B. Levy, P. Millie, and R. Subra, in Localization and Delocalization in Quantum Chemistry, edited by O. Chalvet (Reidel, Dordrecht, 1975).
-
(1975)
Localization and Delocalization in Quantum Chemistry
-
-
Ellinger, Y.1
Levy, B.2
Millie, P.3
Subra, R.4
-
3
-
-
36749106351
-
-
Y. Ellinger, F. Pauzat, V. Barone, J. Douady, and R. Subra, J. Chem. Phys. 72, 6390 (1980).
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 6390
-
-
Ellinger, Y.1
Pauzat, F.2
Barone, V.3
Douady, J.4
Subra, R.5
-
4
-
-
0000290691
-
-
V. Barone, C. Minichino, A. Grand, and R. Subra, J. Chem. Phys. 99, 6787 (1993).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 6787
-
-
Barone, V.1
Minichino, C.2
Grand, A.3
Subra, R.4
-
5
-
-
0028793935
-
-
V. Barone, C. Adamo, A. Grand, Y. Brunel, M. Fontecave, and R. Subra, J. Am. Chem. Soc. 117, 1083 (1995).
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 1083
-
-
Barone, V.1
Adamo, C.2
Grand, A.3
Brunel, Y.4
Fontecave, M.5
Subra, R.6
-
6
-
-
0029555012
-
-
V. Barone, C. Adamo, A Grand, F. Jolibois, Y. Brunel, and R. Subra, J. Am. Chem. Soc. 117, 12618 (1995).
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 12618
-
-
Barone, V.1
Adamo, C.2
Grand, A.3
Jolibois, F.4
Brunel, Y.5
Subra, R.6
-
7
-
-
0001554969
-
-
S. Deycard, J. Lusztyk, K. U. Ingold, F. Zerbetto, M. Z. Zgierski, and W. Siebrand, J. Am. Chem. Soc. 110, 6721 (1988).
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 6721
-
-
Deycard, S.1
Lusztyk, J.2
Ingold, K.U.3
Zerbetto, F.4
Zgierski, M.Z.5
Siebrand, W.6
-
12
-
-
0010922186
-
-
Gaussian, Inc., Pittsburgh, PA
-
GAUSSIAN 94, Revision B.2, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. DeFrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Pittsburgh, PA, 1995.
-
(1995)
GAUSSIAN 94, Revision B.2
-
-
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.A.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrewski, 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..
-
13
-
-
0001441753
-
-
C. Minichino and V. Barone, J. Chem. Phys. 100, 3717 (1994); V. Barone and C. Minichino, Theochem 330, 365 (1995).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 3717
-
-
Minichino, C.1
Barone, V.2
-
14
-
-
84961978591
-
-
C. Minichino and V. Barone, J. Chem. Phys. 100, 3717 (1994); V. Barone and C. Minichino, Theochem 330, 365 (1995).
-
(1995)
Theochem
, vol.330
, pp. 365
-
-
Barone, V.1
Minichino, C.2
-
20
-
-
28944448300
-
-
T. H. Dunning, Jr., J. Chem. Phys. 53, 2823 (1970); T. H. Dunning, Jr. and P. J. Hay, in Modern Theoretical Chemistry (Plenum, New York, 1986), p. 1.
-
(1970)
J. Chem. Phys.
, vol.53
, pp. 2823
-
-
Dunning Jr., T.H.1
-
21
-
-
28944448300
-
-
Plenum, New York
-
T. H. Dunning, Jr., J. Chem. Phys. 53, 2823 (1970); T. H. Dunning, Jr. and P. J. Hay, in Modern Theoretical Chemistry (Plenum, New York, 1986), p. 1.
-
(1986)
Modern Theoretical Chemistry
, pp. 1
-
-
Dunning Jr., T.H.1
Hay, P.J.2
-
25
-
-
0001035973
-
-
D. Feller, E. D. Glendening, E. A. McCullough, Jr., and R. J. Miller, Chem. Phys. 99, 2829 (1993).
-
(1993)
Chem. Phys.
, vol.99
, pp. 2829
-
-
Feller, D.1
Glendening, E.D.2
McCullough Jr., E.A.3
Miller, R.J.4
-
27
-
-
0001945238
-
-
D. M. Chipman, Theor. Chim. Acta 76, 73 (1989); J. Chem. Phys. 54, 55 (1989).
-
(1989)
J. Chem. Phys.
, vol.54
, pp. 55
-
-
-
34
-
-
0141840059
-
-
V. Barone, C. Minichino, H. Faucher, R. Subra, and A. Grand, Chem. Phys. Lett. 205, 324 (1993).
-
(1993)
Chem. Phys. Lett.
, vol.205
, pp. 324
-
-
Barone, V.1
Minichino, C.2
Faucher, H.3
Subra, R.4
Grand, A.5
-
35
-
-
36449006826
-
-
S. Smedarchina. W. Siebrand, M. Zgierski, and F. Zerbetto, J. Chem. Phys. 102, 7024 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 7024
-
-
Smedarchina, S.1
Siebrand, W.2
Zgierski, M.3
Zerbetto, F.4
-
38
-
-
0001438361
-
-
Y. Ellinger, A. Rassat, R. Subra, and G. Berthier, J. Am. Chem. Soc. 95, 2372 (1973).
-
(1973)
J. Am. Chem. Soc.
, vol.95
, pp. 2372
-
-
Ellinger, Y.1
Rassat, A.2
Subra, R.3
Berthier, G.4
-
39
-
-
36749111342
-
-
Y. Ellinger, A. Rassat, R. Subra, and G. Berthier, J. Chem. Phys. 62, 1; 10 (1975).
-
(1975)
J. Chem. Phys.
, vol.62
, Issue.1
, pp. 10
-
-
Ellinger, Y.1
Rassat, A.2
Subra, R.3
Berthier, G.4
-
40
-
-
5844290461
-
-
Y. Ellinger, A. Rassat, R. Subra, G. Berthier and Ph. Millie, Chem. Phys. Lett. 11, 362 (1971).
-
(1971)
Chem. Phys. Lett.
, vol.11
, pp. 362
-
-
Ellinger, Y.1
Rassat, A.2
Subra, R.3
Berthier, G.4
Millie, Ph.5
-
44
-
-
33744611389
-
-
V. Barone, J. Chem. Phys. 101, 6834; 10666 (1994); Theor. Chim. Acta 91, 113 (1995).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 6834
-
-
Barone, V.1
-
45
-
-
0001132512
-
-
V. Barone, J. Chem. Phys. 101, 6834; 10666 (1994); Theor. Chim. Acta 91, 113 (1995).
-
(1995)
Theor. Chim. Acta
, vol.91
, pp. 113
-
-
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