Thermodynamic molecular mechanics force field: Modified QCFF program
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference31 articles.
1. and Molecular Mechanics, ACS Monograph 177, American Chemical Society,Washington DC, 1982, and numerous references cited therein.
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3. Application of conformational analysis techniques to the prediction of heats of formation and gas-phase thermodynamic functions
4. Employing force-field calculations to predict equilibrium constants and other thermodynamic properties for the dimerization of 1,3-cyclopentadiene
5. Force field calculation of equilibrium thermodynamic properties: Diels-Alder reaction of 1,3-butadiene and ethylene and Diels-Alder dimerization of 1,3-butadiene
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1. Appendix: Published Force Field Parameters for Molecular Mechanics, Molecular Dynamics, and Monte Carlo Simulations;Reviews in Computational Chemistry;2007-01-05
2. Appendix 1: Published Force Field Parameters;Reviews in Computational Chemistry;2007-01-05
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