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Intermolecular force constants of hcn in the condensed phase

✍ Scribed by Pradip N. Ghosh

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
341 KB
Volume
26
Category
Article
ISSN
0022-2860

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πŸ“œ SIMILAR VOLUMES

Assessment of performance of the general
Assessment of performance of the general purpose polarizable force field QMPFF3 in condensed phase
✍ Alexander G. Donchev; Nikolay G. Galkin; Alexey A. Illarionov; Oleg V. Khoruzhii πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 101 KB

## Abstract The recently introduced force field (FF) QMPFF3 is thoroughly validated in gas, liquid, and solid phases. For the first time, it is demonstrated that a physically well‐grounded general purpose FF fitted exclusively to a comprehensive set of high level vacuum quantum mechanical data appl