-
1
-
-
0000051486
-
-
J. R. Maple, U. Dinur, and A. T. Hagler, Proc. Natl. Acad. Sci. USA, 85, 5350 (1988).
-
(1988)
Proc. Natl. Acad. Sci. USA
, vol.85
, pp. 5350
-
-
Maple, J.R.1
Dinur, U.2
Hagler, A.T.3
-
2
-
-
0004476969
-
-
J. R. Maple, T. S. Thatcher, U. Dinur, and A. T. Hagler, Chem. Des. Automat. News 5, 9, 10 (1990).
-
(1990)
Chem. Des. Automat. News 5
, vol.9
, pp. 10
-
-
Maple, J.R.1
Thatcher, T.S.2
Dinur, U.3
Hagler, A.T.4
-
4
-
-
84986527718
-
-
J. R. Maple, M.-J. Hwang, T. P. Stockfisch, U. Dinur, M. Waldman, C. S. Ewig, and A. T. Hagler, J. Comput. Chem., 15, 162 (1994).
-
(1994)
J. Comput. Chem.
, vol.15
, pp. 162
-
-
Maple, J.R.1
Hwang, M.-J.2
Stockfisch, T.P.3
Dinur, U.4
Waldman, M.5
Ewig, C.S.6
Hagler, A.T.7
-
8
-
-
0001324194
-
-
H.-J. Böhm, R. Ahlrichs, P. Scharf, and H. Schiffer, J. Chem. Phys., 81, 1389 (1984).
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 1389
-
-
Böhm, H.-J.1
Ahlrichs, R.2
Scharf, P.3
Schiffer, H.4
-
11
-
-
0003658633
-
-
B. Pullman, Ed., John Wiley & Sons, New York
-
P. Claverie, In Intermolecular Interactions: From Diatomics to Biopolymers, B. Pullman, Ed., John Wiley & Sons, New York, 1978.
-
(1978)
Intermolecular Interactions: From Diatomics to Biopolymers
-
-
Claverie, P.1
-
12
-
-
84856125504
-
-
H.-J. Böhm, C. Meissner, and R. Ahlrichs, Mol. Phys., 53, 651 (1984).
-
(1984)
Mol. Phys.
, vol.53
, pp. 651
-
-
Böhm, H.-J.1
Meissner, C.2
Ahlrichs, R.3
-
13
-
-
0001190876
-
-
K. P. Sagarik, R. Ahlrichs, and S. Brode, Mol. Phys., 57, 1247 (1986).
-
(1986)
Mol. Phys.
, vol.57
, pp. 1247
-
-
Sagarik, K.P.1
Ahlrichs, R.2
Brode, S.3
-
18
-
-
0000548331
-
-
S. Tsuzuki, T. Uchimaru, K. Tanabe, and S. Kuwajima, J. Phys. Chem., 98, 1830 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 1830
-
-
Tsuzuki, S.1
Uchimaru, T.2
Tanabe, K.3
Kuwajima, S.4
-
20
-
-
33847804793
-
-
F. A. Momany, L. M. Carruthers, R. F. McGuire, and H. A. Scheraga, J. Phys. Chem., 78, 1595 (1974).
-
(1974)
J. Phys. Chem.
, vol.78
, pp. 1595
-
-
Momany, F.A.1
Carruthers, L.M.2
McGuire, R.F.3
Scheraga, H.A.4
-
22
-
-
0001345932
-
-
M.-J. Hwang, T. P. Stockfisch, and A. T. Hagler, J. Am. Chem. Soc., 116, 2515 (1994).
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 2515
-
-
Hwang, M.-J.1
Stockfisch, T.P.2
Hagler, A.T.3
-
27
-
-
0345491105
-
-
C. Lee, W. Yang, and R. G. Parr, Phys. Rev., B37, 785 (1988).
-
(1988)
Phys. Rev.
, vol.B37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
31
-
-
0003516749
-
-
Oxford University Press, Oxford, UK
-
P. W. Atkins, Physical Chemistry, Oxford University Press, Oxford, UK, 1987.
-
(1987)
Physical Chemistry
-
-
Atkins, P.W.1
-
32
-
-
0001303801
-
-
P. Demontis, G. B. Suffritti, A. Alberti, S. Quartieri, E. S. Fois, and A. Gamba, Gazz. Chim. Ital., 116, 459 (1986).
-
(1986)
Gazz. Chim. Ital.
, vol.116
, pp. 459
-
-
Demontis, P.1
Suffritti, G.B.2
Alberti, A.3
Quartieri, S.4
Fois, E.S.5
Gamba, A.6
-
33
-
-
0016399124
-
-
A. T. Hagler, E. Huler, and S. Lifson, J. Am. Chem. Soc., 96, 5319 (1974).
-
(1974)
J. Am. Chem. Soc.
, vol.96
, pp. 5319
-
-
Hagler, A.T.1
Huler, E.2
Lifson, S.3
-
34
-
-
33644787399
-
-
S. Lifson, A. T. Hagler, and P. Dauber, J. Am. Chem. Soc., 101, 5111 (1979).
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 5111
-
-
Lifson, S.1
Hagler, A.T.2
Dauber, P.3
-
35
-
-
0041602007
-
-
Universität Karlsruhe (TH)
-
R. Ahlrichs, M. Bär, S. Brode, M. Ehrig, F. Haase, M. Häser, H. Horn, C. Kölmel, A. Schäfer, H. Schiffer, and P. Weis, Program TURBOMOLE, Universität Karlsruhe (TH), 1992.
-
(1992)
Program TURBOMOLE
-
-
Ahlrichs, R.1
Bär, M.2
Brode, S.3
Ehrig, M.4
Haase, F.5
Häser, M.6
Horn, H.7
Kölmel, C.8
Schäfer, A.9
Schiffer, H.10
Weis, P.11
-
36
-
-
84908803468
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, M. Head-Gordon, G. W. Trucks, J. B. Foresman, H. B. Schlegel, K. Raghavacharia, M. Robb, J. S. Binkley, C. Gonzalez, D. J. Defrees, D. J. Fox, R. A. Whiteside, R. Seeger, C. F. Melius, J. Baker, R. L. Martin, L. R. Kahn, J. J. P. Stewart, S. Topiol, and J. A. Pople, GAUSSIAN 90, Revision I, Gaussian, Inc., Pittsburgh, PA, 1990.
-
(1990)
GAUSSIAN 90, Revision I
-
-
Frisch, M.J.1
Head-Gordon, M.2
Trucks, G.W.3
Foresman, J.B.4
Schlegel, H.B.5
Raghavacharia, K.6
Robb, M.7
Binkley, J.S.8
Gonzalez, C.9
Defrees, D.J.10
Fox, D.J.11
Whiteside, R.A.12
Seeger, R.13
Melius, C.F.14
Baker, J.15
Martin, R.L.16
Kahn, L.R.17
Stewart, J.J.P.18
Topiol, S.19
Pople, J.A.20
more..
-
38
-
-
0021757436
-
-
S. J. Weiner, P. A. Kollman, D. A. Case, U. C. Singh, C. Ghio, G. Alagona, S. Profeta, and P. Weiner, J. Am. Chem. Soc., 106, 765 (1984).
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 765
-
-
Weiner, S.J.1
Kollman, P.A.2
Case, D.A.3
Singh, U.C.4
Ghio, C.5
Alagona, G.6
Profeta, S.7
Weiner, P.8
-
39
-
-
5244382279
-
-
personal communication
-
H. Sun, personal communication, 1995.
-
(1995)
-
-
Sun, H.1
-
40
-
-
0344196602
-
-
J. Nagy, D. F. Weaver, and V. H. Smith, Jr., J. Phys. Chem., 99, 8058 (1995).
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 8058
-
-
Nagy, J.1
Weaver, D.F.2
Smith Jr., V.H.3
-
42
-
-
0003463967
-
-
Carnegie Press, Pittsburgh, PA
-
F. D. Rossini, K. S. Pitzer, R. L. Arnett, R. M. Braun, and G. C. Pimentel, Selected Values of Physical and Thermodynamic Properties of Hydrocarbons and Related Compounds, Carnegie Press, Pittsburgh, PA, 1953.
-
(1953)
Selected Values of Physical and Thermodynamic Properties of Hydrocarbons and Related Compounds
-
-
Rossini, F.D.1
Pitzer, K.S.2
Arnett, R.L.3
Braun, R.M.4
Pimentel, G.C.5
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