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Allinger

J.S. Munay, P. Politzer, Electrostatic potential, in Encyclopedia of Gjmpu-tational Chemistry, Vol.2, P. von Rague-Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer III, P.R. Schreiner (Eds.) John Wiley Sons, Chichester. UK, 1998, pp. 912-920. [Pg.168]

U. Burkert, N. L. Allinger, Molecular Mechanics, ACS Monr raph No. 177,... [Pg.356]

Hcrkcrt, LI. . Allinger, N.I.. Molecular Mechanics.. American Chem ical Society Monograph 177, Washington, D.C., 1982. [Pg.2]

Note MM-i- is derived from the public domain code developed by Dr. Norm an Allinger, referred to as M.M2( 1977), and distributed by the Quantum Chemistry Program Exchange (QCPE). The code for MM-t is not derived from Dr. Allin ger s present version of code, which IS trademarked MM2 . Specifically. QCMPOlO was used as a starting point Ibr HyperChem MM-t code. The code was extensively modified and extended over several years to include molecular dynamics, switching functuins for cubic stretch terms, periodic boundary conditions, superimposed restraints, a default (additional) parameter scheme, and so on. [Pg.102]

HyperChem s MM-i- force field uses the latest MM2 (1991) parameters and atom types (provided directly by Dr. Alliugei) with the 1977 functional form X. H.. Allinger, 7 Am. Chern. Soc., 99, 8127 (1977),. 1,.. Allin ger and Y. H. Yuh, Qiiari tnm Ch cm istry Program... [Pg.182]

Table 4.1 Force constants and reference bond lengths for selected bonds [Allinger 1977],... Table 4.1 Force constants and reference bond lengths for selected bonds [Allinger 1977],...
Bowen J P and N L Allinger 1991. Molecular Mechanics The Art and Science of Parameterisation. I Lipkowitz K B and D B Boyd (Editors). Reviews in Computational Chemistry Volume 2. New Yorl VCH Publishers, pp. 81-97. [Pg.265]

Burkert U and N L Allinger 1982. Molecular Mechanics. ACS Monograph 177. Washington D.C American Chemical Society. [Pg.265]

T and N L Allinger 1989. Molecular Mechanics. The MM3 Force Field for Hydrocarbons. 2. Vibra-ional Frequencies and Thermodynamics. Journal of the American Chemical Society 111 8566-8582. on F 1930. Zur Theori und Systematik der Molekularkrafte. Zeitschrift fur Physik 63 245-279. [Pg.268]

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