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.
| Language | English |
|---|---|
| Pages | 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 | |
| Publication status | Published - 1983 |
| Externally published | Yes |
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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 journal › Article › Research › peer-review
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.
UR - http://www.scopus.com/inward/record.url?scp=37049100343&partnerID=8YFLogxK
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
T2 - 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
IS - 11
ER -