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Ab initioSCF computation of force constants for CO2

✍ Scribed by Jacob Pacansky; Ulf Wahlgren; Paul S. Bagus

Publisher
Springer
Year
1976
Tongue
English
Weight
396 KB
Volume
41
Category
Article
ISSN
1432-2234

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A comparison of selected force constants
A comparison of selected force constants derived from ab initioSCF calculations on Ξ²-hydroxyacrolein. Acrolein, performic acid, and formic acid
✍ Charles W. Bock; Mendel Trachtman; Philip George πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 435 KB

## Abstract Harmonic force fields have been calculated for the planar hydrogen‐bonded ring conformer of β‐hydroxyacrolein, __c__C__c__, which is the most stable, and the chain conformer, __c__C__t__, generated by 180Β° rotation of Oο£ΏH about the Cο£ΏO bond axis. The equilibrium structure obtained using