Compliant fields for water, ammonia and methane

A. S N Murthy*, Shoba Ranganathan

*Corresponding author for this work

Research output: Contribution to journalArticle

1 Citation (Scopus)

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.

Original languageEnglish
Pages (from-to)1-8
Number of pages8
JournalJournal of Molecular Structure: THEOCHEM
Volume104
Issue number1-2
DOIs
Publication statusPublished - 1983
Externally publishedYes

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