Compliant fields for formic acid and formamide

Adurthy S N Murthy, Shoba Ranganathan

Research output: Contribution to journalArticleResearchpeer-review

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.

LanguageEnglish
Pages1699-1706
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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formic acid
redundancy
Redundancy
formalism
valence
harmonics
formamide
Compliance

Cite this

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title = "Compliant fields for formic acid and formamide",
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.",
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Compliant fields for formic acid and formamide. / Murthy, Adurthy S N; Ranganathan, Shoba.

In: Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, Vol. 79, No. 11, 1983, p. 1699-1706.

Research output: Contribution to journalArticleResearchpeer-review

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