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 |
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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 | |
Publication status | Published - 1983 |
Externally published | Yes |