-
1
-
-
0001521617
-
-
M. H. Abraham, P. L. Grellier, J. M. Abboud, R. M. Doherty, and R. W. Taft, Can. J. Chem., 66, 2673 (1988).
-
(1988)
Can. J. Chem.
, vol.66
, pp. 2673
-
-
Abraham, M.H.1
Grellier, P.L.2
Abboud, J.M.3
Doherty, R.M.4
Taft, R.W.5
-
4
-
-
0002252623
-
-
J. S. Murray, T. Brinck, P. Lane, K. Paulsen, and P. Politzer, J. Mol. Struct. (Theochem), 307, 55 (1994).
-
(1994)
J. Mol. Struct. (Theochem)
, vol.307
, pp. 55
-
-
Murray, J.S.1
Brinck, T.2
Lane, P.3
Paulsen, K.4
Politzer, P.5
-
6
-
-
0003981415
-
-
K. B. Lipkowitz and D. B. Boyd, Eds., VCH, New York
-
P. G. Mezey, Reviews in Computational Chemistry, vol. 1, K. B. Lipkowitz and D. B. Boyd, Eds., VCH, New York, 1990.
-
(1990)
Reviews in Computational Chemistry
, vol.1
-
-
Mezey, P.G.1
-
10
-
-
84946893847
-
-
S. Miertuš, E. Scrocco, and J. Tomasi, Chem. Phys., 55, 117 (1981).
-
(1981)
Chem. Phys.
, vol.55
, pp. 117
-
-
Miertuš, S.1
Scrocco, E.2
Tomasi, J.3
-
12
-
-
33845373869
-
-
S. D. Kahn, C. F. Pau, L. E. Overman, and W. J. Hehre, J. Am. Chem. Soc., 108, 7381 (1986).
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 7381
-
-
Kahn, S.D.1
Pau, C.F.2
Overman, L.E.3
Hehre, W.J.4
-
13
-
-
1542409867
-
-
X. Luo, G. A. Arteca, P. G. Mezey, and C.-H. Zhang, J. Organomet. Chem., 444, 131 (1993).
-
(1993)
J. Organomet. Chem.
, vol.444
, pp. 131
-
-
Luo, X.1
Arteca, G.A.2
Mezey, P.G.3
Zhang, C.-H.4
-
14
-
-
0023977122
-
-
G. A. Arteca, V. B. Jammal, P. G. Mezey, J. S. Yadav, M. A. Hermsmeier, and T. M. Gund, J. Mol. Graph., 6, 45 (1988).
-
(1988)
J. Mol. Graph.
, vol.6
, pp. 45
-
-
Arteca, G.A.1
Jammal, V.B.2
Mezey, P.G.3
Yadav, J.S.4
Hermsmeier, M.A.5
Gund, T.M.6
-
15
-
-
84986511241
-
-
G. A. Arteca, A. Hernández-Laguna, J. J. Rández, Y. G. Smeyers, and P. G. Mezey, J. Comput. Chem., 12, 705 (1991).
-
(1991)
J. Comput. Chem.
, vol.12
, pp. 705
-
-
Arteca, G.A.1
Hernández-Laguna, A.2
Rández, J.J.3
Smeyers, Y.G.4
Mezey, P.G.5
-
16
-
-
0000911748
-
-
I. Alkorta, H. O. Villar, and G. A. Arteca, J. Comput. Chem., 14, 530 (1993).
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 530
-
-
Alkorta, I.1
Villar, H.O.2
Arteca, G.A.3
-
19
-
-
0003530598
-
-
Wiley, New York
-
A. Bondi, Physical Properties of Molecular Crystals, Liquids, and Glasses, Wiley, New York, 1968.
-
(1968)
Physical Properties of Molecular Crystals, Liquids, and Glasses
-
-
Bondi, A.1
-
24
-
-
33845281510
-
-
R. F. W. Bader, M. T. Carroll, J. R. Cheeseman, and C. J. Chang, J. Am. Chem. Soc., 109, 7968 (1987).
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 7968
-
-
Bader, R.F.W.1
Carroll, M.T.2
Cheeseman, J.R.3
Chang, C.J.4
-
25
-
-
0021757426
-
-
M. M. Francl, R. F. Houk, and W. J. Hehre, J. Am. Chem. Soc., 106, 563 (1984).
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 563
-
-
Francl, M.M.1
Houk, R.F.2
Hehre, W.J.3
-
26
-
-
84986506445
-
-
G. A. Arteca, N. D. Grant, and P. G. Mezey, J. Comput. Chem., 12, 1198 (1991).
-
(1991)
J. Comput. Chem.
, vol.12
, pp. 1198
-
-
Arteca, G.A.1
Grant, N.D.2
Mezey, P.G.3
-
28
-
-
36749110469
-
-
P. Politzer, R. G. Parr, and D. R. Murphy, J. Chem. Phys., 79, 3859 (1983).
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 3859
-
-
Politzer, P.1
Parr, R.G.2
Murphy, D.R.3
-
30
-
-
36549094680
-
-
K. D. Sen and P. Politzer, J. Chem. Phys., 90, 4370 (1989); ibid., 91, 5123 (1989).
-
(1989)
J. Chem. Phys.
, vol.91
, pp. 5123
-
-
-
32
-
-
0040973343
-
-
S. R. Gadre, I. H. Shrivastava, and S. A. Kulkarni, Chem. Phys. Lett., 170, 271 (1990).
-
(1990)
Chem. Phys. Lett.
, vol.170
, pp. 271
-
-
Gadre, S.R.1
Shrivastava, I.H.2
Kulkarni, S.A.3
-
33
-
-
84962385843
-
-
S. R. Gadre, C. Kölmel, and I. H. Shrivastava, Inorg. Chem., 31, 2281 (1992).
-
(1992)
Inorg. Chem.
, vol.31
, pp. 2281
-
-
Gadre, S.R.1
Kölmel, C.2
Shrivastava, I.H.3
-
34
-
-
84961982134
-
-
F. J. Luque, S. R. Gadre, P. K. Bhadane, and M. Orozco, Chem. Phys. Lett., 232, 509 (1995).
-
(1995)
Chem. Phys. Lett.
, vol.232
, pp. 509
-
-
Luque, F.J.1
Gadre, S.R.2
Bhadane, P.K.3
Orozco, M.4
-
35
-
-
0001006580
-
-
P. Polizer, P. Lane, J. S. Murray, and T. Brinck, J. Phys. Chem., 96, 7938 (1992).
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 7938
-
-
Polizer, P.1
Lane, P.2
Murray, J.S.3
Brinck, T.4
-
36
-
-
33751385546
-
-
J. S. Murray, P. Lane, T. Brinck, and P. Polizer, J. Phys. Chem., 97, 5144 (1993).
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 5144
-
-
Murray, J.S.1
Lane, P.2
Brinck, T.3
Polizer, P.4
-
39
-
-
84988109711
-
-
J. L. Pascual-Ahuir, E. Silla, J. Tomasi, and R. Bonaccorsi, J. Comput. Chem., 8, 778 (1987).
-
(1987)
J. Comput. Chem.
, vol.8
, pp. 778
-
-
Pascual-Ahuir, J.L.1
Silla, E.2
Tomasi, J.3
Bonaccorsi, R.4
-
40
-
-
84870869070
-
-
Carnegie-Mellon University, Pittsburgh, PA
-
Gaussian 80, J. S. Binkley, R. A. Whiteside, R. Krishnan, R. Seeger, D. J. Defrees, H. B. Schlegel, S. Topiol, L. R. Kahn, and J. A. Pople, Carnegie-Mellon University, Pittsburgh, PA, 1980.
-
(1980)
Gaussian 80
-
-
Binkley, J.S.1
Whiteside, R.A.2
Krishnan, R.3
Seeger, R.4
Defrees, D.J.5
Schlegel, H.B.6
Topiol, S.7
Kahn, L.R.8
Pople, J.A.9
-
42
-
-
84887070593
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, B. G. Johnson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andrés, K. Raghavachari, J. S. Binkley, C. González, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, and J. A. Pople, Gaussian 92 (Revision E.2), Gaussian, Inc., Pittsburgh, PA, 1992.
-
(1992)
Gaussian 92 (Revision E.2)
-
-
Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schlegel, H.B.8
Robb, M.A.9
Replogle, E.S.10
Gomperts, R.11
Andrés, J.L.12
Raghavachari, K.13
Binkley, J.S.14
González, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
|