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Optimization of LDV geometry

✍ Scribed by Smits, A. J. ;Perry, A. E.

Book ID: 115326688
Publisher: The Optical Society
Year: 1979
Tongue: English
Weight: 454 KB
Volume: 18
Category: Article
ISSN: 1559-128X
DOI: 10.1364/AO.18.001097

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## By combining valence coordinates (stretches, bends, and torsions) to describe intramolecular degrees of freedom with inverse distance coordinates for intermolecular degrees of freedom, we derive an efficient set of coordinates for the geometry optimization of molecular clusters. We illustrate t