COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds
Author:
Affiliation:
1. Molecular Simulations Inc., 9685 Scranton Road, San Diego, California 92121-3752
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp980939v
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4. Molecular mechanics (MM3) calculations on conjugated hydrocarbons
5. A molecular mechanics force field (MM3) for alcohols and ethers
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