-
1
-
-
0004068133
-
-
Academic Press, London
-
A. Pelter, K. Smart, H.C. Brown, Borane Reagents, Academic Press, London, 1988.
-
(1988)
Borane Reagents
-
-
Pelter, A.1
Smart, K.2
Brown, H.C.3
-
4
-
-
0000241349
-
-
Houk K.N., Rondan N.G., Wu Y.D., Metz J.T., Paddon-Row M.N. Tetrahedron. 40:1984;2257.
-
(1984)
Tetrahedron
, vol.40
, pp. 2257
-
-
Houk, K.N.1
Rondan, N.G.2
Wu, Y.D.3
Metz, J.T.4
Paddon-Row, M.N.5
-
18
-
-
0003718311
-
-
Elsevier, Amsterdam
-
S. Huzinaga, J. Andzelm, M. Klobukowski, E. Radzio-Andzelm, Y. Sakai, H. Tatewaki, Gaussian Basis Sets for Molecular Calculations, Elsevier, Amsterdam, 1984.
-
(1984)
Gaussian Basis Sets for Molecular Calculations
-
-
Huzinaga, S.1
Andzelm, J.2
Klobukowski, M.3
Radzio-Andzelm, E.4
Sakai, Y.5
Tatewaki, H.6
-
22
-
-
0004133516
-
-
Revision B.3, Gaussian, Inc., Pittsburgh PA
-
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, 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.J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian94, Revision B.3, Gaussian, Inc., Pittsburgh PA, 1995.
-
(1995)
Gaussian94
-
-
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
Peng, C.Y.16
Ayala, P.Y.17
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.J.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
-
25
-
-
4043086219
-
-
UNIPROP: Program developed by Gadre and co-workers at University of Pune, India. See also
-
UNIPROP: Program developed by Gadre and co-workers at University of Pune, India. See also R.N. Shirsat, S.V. Bapat, S.R. Gadre, Chem. Phys. Lett. 200 (1992) 373.
-
(1992)
Chem. Phys. Lett.
, vol.200
, pp. 373
-
-
Shirsat, R.N.1
Bapat, S.V.2
Gadre, S.R.3
-
28
-
-
4143146214
-
-
and references cited therein
-
N. Koga, K. Morokuma, Chem. Rev. 91 (1991) 823 and references cited therein.
-
(1991)
Chem. Rev.
, vol.91
, pp. 823
-
-
Koga, N.1
Morokuma, K.2
-
30
-
-
85013554118
-
-
Conticello V.P., Brard L., Giardello M.A., Tsuji Y., Sabat M., Stern C.L., Marks T.J. J. Am. Chem. Soc. 114:1992;2761.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 2761
-
-
Conticello, V.P.1
Brard, L.2
Giardello, M.A.3
Tsuji, Y.4
Sabat, M.5
Stern, C.L.6
Marks, T.J.7
-
36
-
-
0009635720
-
-
unpublished results
-
N. Koga, unpublished results.
-
-
-
Koga, N.1
-
37
-
-
0004157499
-
-
Clarendon, Oxford The critical points of molecular electron density distribution (ED) can be characterized from its rank and signature (excess of positive eigenvalues over negative ones). Thus, maxima are denoted as (3,-3), minima are denoted as (3,+3) and two types of saddles are denoted as (3,-1) and (3,+1). The ED is maximum at the nuclear sites and a (3,-1) saddle is found between every bonded pair of atoms (called bond critical point). The presence of ring or cage in the system can be identified from occurrence of (3,+1) saddle and minimum, respectively, in the ED distribution
-
R.F.W. Bader, Atoms in Molecules: A Quantum Theory, Clarendon, Oxford, 1990. The critical points of molecular electron density distribution (ED) can be characterized from its rank and signature (excess of positive eigenvalues over negative ones). Thus, maxima are denoted as (3,-3), minima are denoted as (3,+3) and two types of saddles are denoted as (3,-1) and (3,+1). The ED is maximum at the nuclear sites and a (3,-1) saddle is found between every bonded pair of atoms (called bond critical point). The presence of ring or cage in the system can be identified from occurrence of (3,+1) saddle and minimum, respectively, in the ED distribution.
-
(1990)
Atoms in Molecules: A Quantum Theory
-
-
Bader, R.F.W.1
-
40
-
-
0020787040
-
-
Cremer D., Kraka E., Slee T.S., Bader R.W.F., Lau C.D.H., Nguyen-Dang T.T., MacDougall P.J. J. Am. Chem. Soc. 105:1983;5069.
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 5069
-
-
Cremer, D.1
Kraka, E.2
Slee, T.S.3
Bader, R.W.F.4
Lau, C.D.H.5
Nguyen-Dang, T.T.6
MacDougall, P.J.7
-
42
-
-
0000793016
-
-
Wiberg K.B., Hadad C.M., Lepage T.J., Breneman C.M., Frisch M.J. J. Phys. Chem. 96:1992;671.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 671
-
-
Wiberg, K.B.1
Hadad, C.M.2
Lepage, T.J.3
Breneman, C.M.4
Frisch, M.J.5
-
47
-
-
33748231519
-
-
Spence R.E.v.H., Parks D.J., Piers W.E., MacDonald M.-A., Zaworotko M.J., Retting S.J. Angew. Chem. Int. Ed. Engl. 34:1995;1230.
-
(1995)
Angew. Chem. Int. Ed. Engl.
, vol.34
, pp. 1230
-
-
Spence, R.E.V.H.1
Parks, D.J.2
Piers, W.E.3
MacDonald, M.-A.4
Zaworotko, M.J.5
Retting, S.J.6
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