Compliant fields for formic acid and formamide

Adurthy S N Murthy*, Shoba Ranganathan

*Corresponding author for this work

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Complete general harmonic potential functions for formic acid and formamide in terms of redundancy-free internal valence compliance constants have been determined by the combined use of the CNDO/force method and the compliance-constant formalism. These compliance constants have been refined perturbatively with the help of experimental frequency data.

Original languageEnglish
Pages (from-to)1699-1706
Number of pages8
JournalJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
Volume79
Issue number11
DOIs
Publication statusPublished - 1983
Externally publishedYes

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