Compliant fields for formic acid and formamide

Adurthy S N Murthy; Shoba Ranganathan

doi:10.1039/F29837901699

Compliant fields for formic acid and formamide

Adurthy S N Murthy^*, Shoba Ranganathan

^*Corresponding author for this work

Research output: Contribution to journal › Article

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 language	English
Pages (from-to)	1699-1706
Number of pages	8
Journal	Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
Volume	79
Issue number	11
DOIs	https://doi.org/10.1039/F29837901699
Publication status	Published - 1983
Externally published	Yes

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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.",

author = "Murthy, {Adurthy S N} and Shoba Ranganathan",

year = "1983",

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language = "English",

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pages = "1699--1706",

journal = "Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics",

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TY - JOUR

T1 - Compliant fields for formic acid and formamide

AU - Murthy, Adurthy S N

AU - Ranganathan, Shoba

PY - 1983

Y1 - 1983

N2 - 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.

AB - 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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U2 - 10.1039/F29837901699

DO - 10.1039/F29837901699

M3 - Article

VL - 79

SP - 1699

EP - 1706

JO - Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics

JF - Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics

SN - 0300-9238

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ER -