-
2
-
-
40749094858
-
-
(b) R. Ditchfield, Mol. Phys. 27, 789 (1974); see also K. Wolinski, J. F. Hinton and P. Pulay, J. Am. Chem. Soc., 112, 8251 (1990); I. Ando and G. A. Webb, Theory of NMR Parameters. Academic Press, New York (1983).
-
(1974)
Mol. Phys.
, vol.27
, pp. 789
-
-
Ditchfield, R.1
-
3
-
-
11744305193
-
-
(b) R. Ditchfield, Mol. Phys. 21, 789 (1974); see also K. Wolinski, J. F. Hinton and P. Pulay, J. Am. Chem. Soc., 112, 8251 (1990); I. Ando and G. A. Webb, Theory of NMR Parameters. Academic Press, New York (1983).
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 8251
-
-
Wolinski, K.1
Hinton, J.F.2
Pulay, P.3
-
4
-
-
0004250173
-
-
Academic Press, New York
-
(b) R. Ditchfield, Mol. Phys. 21, 789 (1974); see also K. Wolinski, J. F. Hinton and P. Pulay, J. Am. Chem. Soc., 112, 8251 (1990); I. Ando and G. A. Webb, Theory of NMR Parameters. Academic Press, New York (1983).
-
Theory of NMR Parameters
, pp. 1983
-
-
Ando, I.1
Webb, G.A.2
-
6
-
-
0031508390
-
-
(b) D. G. De Kowalewski, V. J. Kowalewski, E. Botek, R. H. Contreras and J. C. Facelli, Magn. Resort. Chem. 35, 351 (1997);
-
(1997)
Magn. Resort. Chem.
, vol.35
, pp. 351
-
-
De Kowalewski, D.G.1
Kowalewski, V.J.2
Botek, E.3
Contreras, R.H.4
Facelli, J.C.5
-
8
-
-
1242268874
-
-
(d) J. R. Cheeseman, G. W. Trucks, T. A. Keith and M. J. Frisch, J. Phys. Chem. 104, 5497 (1996).
-
(1996)
J. Phys. Chem.
, vol.104
, pp. 5497
-
-
Cheeseman, J.R.1
Trucks, G.W.2
Keith, T.A.3
Frisch, M.J.4
-
9
-
-
0004133516
-
-
Gaussian, Pittsburgh, PA
-
3. M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, 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 94, Revision D.2. Gaussian, Pittsburgh, PA (1995).
-
(1995)
Gaussian 94, Revision D.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.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, 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..
-
11
-
-
0001834924
-
-
edited by D. Liotta. JAI Press, Greenwich, CT
-
5. J. J. Gajewski, K. Gilbert and J. McKelvie, in Advances in Molecular Modelling, edited by D. Liotta, Vol. 2. JAI Press, Greenwich, CT (1990).
-
(1990)
Advances in Molecular Modelling
, vol.2
-
-
Gajewski, J.J.1
Gilbert, K.2
McKelvie, J.3
-
14
-
-
23244460838
-
-
8. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Peterson, D. J. Singh and C. Fiolhais, Phys. Rev. 46, 6671 (1992).
-
(1992)
Phys. Rev.
, 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
|