Utilization of overlay and AB initio force fields in the construction of empirical potential energy functions for conjugated molecules
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference10 articles.
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3. Consistent force field calculations. II. Crystal structures, sublimation energies, molecular and lattice vibrations, molecular conformations, and enthalpies of alkanes;Warshel;J. Chem. Phys,1970
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2. Derivation of Class II Force Fields. 2. Derivation and Characterization of a Class II Force Field, CFF93, for the Alkyl Functional Group and Alkane Molecules;Journal of the American Chemical Society;1994-03
3. Spectroscopically determined force fields for macromolecules. 1. n-Alkane chains;Macromolecules;1993-12
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