Article ID Journal Published Year Pages File Type
5418215 Journal of Molecular Structure: THEOCHEM 2006 8 Pages PDF
Abstract
The reproduction of the experimental spectra of vibrations remains always a criterion of evaluation of the reliability of a force field. If the latter is good, the field can be applied in all confidence to macromolecular blocks to undertake studies in molecular dynamics.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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