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Force constants and normal vibrational modes of a simplified molecular model of methyl thionitrite

✍ Scribed by Roger J. Philippe; John M. Ruth

Publisher
Elsevier Science
Year
1963
Tongue
English
Weight
479 KB
Volume
11
Category
Article
ISSN
0022-2852

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Method for the evaluation of normal mode
Method for the evaluation of normal modes and molecular mechanics with reduced sets of force constants. 1. Principles and reliability test
✍ Esko Unger; Robert J. Lipski; Wolfgang Dreybrodt; Reinhard Schweitzer-Stenner πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 437 KB πŸ‘ 2 views

A novel method was developed for molecular mechanics calculations and normal mode analysis. In this approach, the number of free parameters is strongly reduced compared with other empirical force Ðelds. and in contrast to them is generally smaller than the number of available wavenumber values. The