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3
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0024821263
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Molecular Mechanics. the MM3 Force Field for Hydrocarbons I, II, and III
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and subsequent papers. The MM3 program is available to commercial users only from Tripos Associates, 1699 South Hanley Road, St. Louis, MO 63144, and to academic users only from the Quantum Chemistry Program Exchange, Indiana University, Bloomington, IN 47405. The MM4 program will be available shortly from the same sources
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Allinger, N. L. Yuh, Y. H.; Lu, J.-H. Molecular Mechanics. The MM3 Force Field for Hydrocarbons I, II, and III. J. Am. Chem. Soc. 1989, 111, 8551-8582, and subsequent papers. The MM3 program is available to commercial users only from Tripos Associates, 1699 South Hanley Road, St. Louis, MO 63144, and to academic users only from the Quantum Chemistry Program Exchange, Indiana University, Bloomington, IN 47405. The MM4 program will be available shortly from the same sources.
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Janssen, C. L.; Seidl, E. T.; Hamilton, T. P.; Yamaguchi, Y.; Remington, R. B.; Xie, Y.; Vacek, G.; Sherrill, C. D.; Crawford, T. D.; Hermann, J. T.; Allen, W. D.; Brooks, B. R.; Fitzgerald, G. B.; Fox, D. J.; Gaw, J. F.; Handy, N. C.; Laidig, W. D.; Lee, T. J.; Pitzer, R. M.; Rice, J. E.; Saxe, P.; Scheiner, A. C.; Schaefer, H. F. PSI2. 0.8; A program to do ab initia computations with SCF and post-SCF methods (configuration interaction and coupled cluster methods); available from Psitech, Inc., Watkinsville, GA, 30677, 1994.
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A Program to Do Ab Initia Computations with SCF and Post-SCF Methods (Configuration Interaction and Coupled Cluster Methods)
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Janssen, C.L.1
Seidl, E.T.2
Hamilton, T.P.3
Yamaguchi, Y.4
Remington, R.B.5
Xie, Y.6
Vacek, G.7
Sherrill, C.D.8
Crawford, T.D.9
Hermann, J.T.10
Allen, W.D.11
Brooks, B.R.12
Fitzgerald, G.B.13
Fox, D.J.14
Gaw, J.F.15
Handy, N.C.16
Laidig, W.D.17
Lee, T.J.18
Pitzer, R.M.19
Rice, J.E.20
Saxe, P.21
Scheiner, A.C.22
Schaefer, H.F.23
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Gaussian Inc., Pittsburgh, PA
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Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M.; Johnson, B. G.; Wong, M. W.; Foresman, J. B.; Robb, M. A.; Head-Gordon, M.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Stewart, J. J. P.; Pople, J. A. Gaussian 92/DFT, Revision F.2; Gaussian Inc., Pittsburgh, PA, 1993.
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Gaussian 92/DFT, Revision F.2
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.4
Johnson, B.G.5
Wong, M.W.6
Foresman, J.B.7
Robb, M.A.8
Head-Gordon, M.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Stewart, J.J.P.15
Pople, J.A.16
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Yamada, K.1
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0003856812
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Kuchitsu, K., Ed.; SpringerVerlag: Berlin
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All experimental data, except indicated otherwise, are cited from: Structure Data of Polyatomic Molecules; Kuchitsu, K., Ed.; SpringerVerlag: Berlin, 1992.
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Structure Data of Polyatomic Molecules
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