Compliant fields for water, ammonia and methane

A. S N Murthy, Shoba Ranganathan

Research output: Contribution to journalArticleResearchpeer-review

Abstract

An approximate and economical method has been developed to derive the quadratic potential functions using a combination of the CNDO/Force method and the compliance constant approach. This new approach has been used to determine the force constants and harmonic vibrational frequencies for the normal and isotopic species of water, ammonia and methane. The results are expressed in terms of internal valence compliance constants.

LanguageEnglish
Pages1-8
Number of pages8
JournalJournal of Molecular Structure: THEOCHEM
Volume104
Issue number1-2
DOIs
Publication statusPublished - 1983
Externally publishedYes

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Methane
Ammonia
Compliance
ammonia
methane
Water
Vibrational spectra
water
valence
harmonics

Cite this

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abstract = "An approximate and economical method has been developed to derive the quadratic potential functions using a combination of the CNDO/Force method and the compliance constant approach. This new approach has been used to determine the force constants and harmonic vibrational frequencies for the normal and isotopic species of water, ammonia and methane. The results are expressed in terms of internal valence compliance constants.",
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Compliant fields for water, ammonia and methane. / Murthy, A. S N; Ranganathan, Shoba.

In: Journal of Molecular Structure: THEOCHEM, Vol. 104, No. 1-2, 1983, p. 1-8.

Research output: Contribution to journalArticleResearchpeer-review

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