Compliant fields for molecular interactions

Water dimer and formic acid dimer

A. S N Murthy*, Shoba Ranganathan

*Corresponding author for this work

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The redundancy‐free internal valence compliance constants of open‐chain water dimer and formic acid cyclic dimer have been determined by the combined use of the CNDO/Force method and the compliance constant formalism. The final compliant fields of these dimers have been refined with the help of experimental frequency data.

Original languageEnglish
Pages (from-to)547-557
Number of pages11
JournalInternational Journal of Quantum Chemistry
Volume27
Issue number5
DOIs
Publication statusPublished - 1985
Externally publishedYes

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