-
2
-
-
0001655342
-
-
K. Hirao, H. Nakatsuji, H. Kato, and T. Yonezawa, J. Am. Chem. Soc. 94, 4078 (1972).
-
(1972)
J. Am. Chem. Soc.
, vol.94
, pp. 4078
-
-
Hirao, K.1
Nakatsuji, H.2
Kato, H.3
Yonezawa, T.4
-
4
-
-
0000584523
-
-
T. Helgaker, M. Jaszunski, and K. Ruud, Chem. Rev. (Washington, D.C.) 99, 293 (1999).
-
(1999)
Chem. Rev. (Washington, D.C.)
, vol.99
, pp. 293
-
-
Helgaker, T.1
Jaszunski, M.2
Ruud, K.3
-
7
-
-
0001185992
-
-
O. Vahtras, H. Agren, P. Jorgensen, H. J. A. Jensen, S. B. Padkjaer, and T. Helgaker, J. Chem. Phys. 96, 6120 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6120
-
-
Vahtras, O.1
Agren, H.2
Jorgensen, P.3
Jensen, H.J.A.4
Padkjaer, S.B.5
Helgaker, T.6
-
12
-
-
0000838615
-
-
J. San Fabian, J. Casanueva, E. San Fabian, and J. Guilleme, J. Chem. Phys. 112, 4143 (2000).
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 4143
-
-
Fabian, J.S.1
Casanueva, J.2
San Fabian, E.3
Guilleme, J.4
-
13
-
-
0035972657
-
-
J. Casanueva, J. San Fabián, E. Díez, and A. L. Esteban, J. Mol. Struct. 565-566, 449 (2001).
-
(2001)
J. Mol. Struct.
, vol.565-566
, pp. 449
-
-
Casanueva, J.1
Fabián, J.S.2
Díez, E.3
Esteban, A.L.4
-
14
-
-
77957937833
-
-
SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
-
E. J. Baerends, J. Autschbach, A. Berces et al., ADF 2002.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com (2002).
-
(2002)
ADF 2002.01
-
-
Baerends, E.J.1
Autschbach, J.2
Berces, A.3
-
18
-
-
0000728171
-
-
J. L. Marshall, S. R. Walter, M. Barfield, A. P. Marchand, N. W. Marchand, and A. L. Segre, Tetrahedron 32, 537 (1976).
-
(1976)
Tetrahedron
, vol.32
, pp. 537
-
-
Marshall, J.L.1
Walter, S.R.2
Barfield, M.3
Marchand, A.P.4
Marchand, N.W.5
Segre, A.L.6
-
21
-
-
0035918345
-
-
J. E. Peralta, V. Barone, M. C. R. de Azua, and R. H. Contreras, Mol. Phys. 99, 655 (2001).
-
(2001)
Mol. Phys.
, vol.99
, pp. 655
-
-
Peralta, J.E.1
Barone, V.2
De Azua, M.C.R.3
Contreras, R.H.4
-
25
-
-
0001875657
-
-
edited by D. M. Grant and R. K. Harris Wiley, London
-
C. Altona, in Encyclopedia of Nuclear Magnetic Resonance, edited by D. M. Grant and R. K. Harris (Wiley, London 1996), pp. 4909-4922.
-
(1996)
Encyclopedia of Nuclear Magnetic Resonance
, pp. 4909-4922
-
-
Altona, C.1
-
26
-
-
0037151610
-
-
S. Kurtkaya, V. Barone, J. E. Peralta, R. H. Contreras, and J. P. Snyder, J. Am. Chem. Soc. 124, 9702 (2002).
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 9702
-
-
Kurtkaya, S.1
Barone, V.2
Peralta, J.E.3
Contreras, R.H.4
Snyder, J.P.5
-
28
-
-
0034645615
-
-
W. D. Arnold, J. Mao, H. Sun, and E. Oldfield, J. Am. Chem. Soc. 122, 12164 (2000).
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 12164
-
-
Arnold, W.D.1
Mao, J.2
Sun, H.3
Oldfield, E.4
-
34
-
-
0038596731
-
-
B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett. 157, 200 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 200
-
-
Miehlich, B.1
Savin, A.2
Stoll, H.3
Preuss, H.4
-
36
-
-
0004133516
-
-
Revision a.11, Gaussian Inc, Pittsburgh PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 98, Revision a.11, Gaussian Inc, Pittsburgh PA (2001).
-
(2001)
GAUSSIAN 98
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
37
-
-
0003498748
-
-
T. Helgaker, H. J. A. Jensen, P. Jorgensen et al., DALTON, An electronic stracture program, Releases 1.0-1.2 (1997).
-
(1997)
DALTON, An Electronic Stracture Program, Releases 1.0-1.2
-
-
Helgaker, T.1
Jensen, H.J.A.2
Jorgensen, P.3
-
39
-
-
0005079653
-
-
J. Olsen, B. O. Roos, P. Jorgensen, and H. J. A. Jensen, J. Comput. Phys. 89, 2185 (1988).
-
(1988)
J. Comput. Phys.
, vol.89
, pp. 2185
-
-
Olsen, J.1
Roos, B.O.2
Jorgensen, P.3
Jensen, H.J.A.4
-
41
-
-
0000086677
-
-
J. Guilleme, J. San Fabian, J. Casanueva, and E. Díez, Chem. Phys. Lett. 314, 168 (1999).
-
(1999)
Chem. Phys. Lett.
, vol.314
, pp. 168
-
-
Guilleme, J.1
Fabian, J.S.2
Casanueva, J.3
Díez, E.4
-
42
-
-
4143095330
-
-
R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
47
-
-
23244460838
-
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Peterson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Peterson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
50
-
-
0011624186
-
-
J. San Fabián, J. Guilleme, E. Díez, P. Lazzeretti, M. Malagoli, R. Zanasi, A. L. Esteban, and F. Mora, Mol. Phys. 82, 913 (1994).
-
(1994)
Mol. Phys.
, vol.82
, pp. 913
-
-
Fabián, J.S.1
Guilleme, J.2
Díez, E.3
Lazzeretti, P.4
Malagoli, M.5
Zanasi, R.6
Esteban, A.L.7
Mora, F.8
|