Chem 380.37 Lecture Notes 6

L allinger j am chem soc 99 8127 1977 purpose organic

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Unformatted text preview: Purpose Organic molecules U. Burkert and N.L. Allinger, Molecular Mechanics, ACS Monograph 177, American Chemical Society, Washington, D.C., 1982. N. L. Allinger, Y. H. Yh, and J.-H. Lii, J. Am. Chem. Soc. 111, 8551 (1989). MMFF (Merck) T. A. Halgren, J. Comput. Chem. 17, 490, 520, 553, 616 (1996); T. A. Halgren, R. B. Nachbar, J. Comput. Chem. 17, 587 (1996). Organic and biological molecules Dreiding S.L. Mayo, B.D. Olafson, and W.A. Goddard III, J. Phys. Chem. 94, 8897 (1990). Organic, biological, and main group inorganic molecules Amber S.J. Weiner, P.A. Kollman, D.T. Nguyen, and D.A. Case, J. Comp. Chem. 7, 230 (1986). Organic and biological molecules S.J. Weiner, P.A. Kollman, D.A. Case, U.C. Singh, C. Ghio, G. Alagona, S. Profeta, Jr., and P. Weiner, J. Am. Chem. Soc. 1 06, 765 (1984). CHARMM B.R. Brooks, R.E. Bruccoleri, B.D. Olafson, D.J. States, S. Swaminathan, and M. Karplus, J. Comp. Chem. 4, 187 (1983). Organic and biological molecules L. Nilsson and M. Karplus, J. Comp. Chem. 7, 591 (1986). S.N. Ha, A. Giammona, M. Field, and J.W. Brady, Carbohydr. Res. 180, 207 (1988). Discover A.T. Hagler, E. Huler, and S. Lifson, J. Am. Chem. Soc. 96, 5319 (1974). Organic and biological molecules SYBYL/Tripos M. Clark, R.D. Cramer III, and N.V. Opdenbosch, J. Comp. Chem. 10, 982 (1989). Organic and biological molecules UFF A. K. Rappe, C. J. Casewit, K. S. Colwell, W. A. Goddard III, W. M. Skiff, J. Am. Chem. Soc. 114, 10024 (1992). General purpose (entire periodic table)...
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