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The calculation of the normal coordinates of molecular crystals using pairwise potential functions

โœ Scribed by G. Taddei; H. Bonadeo; S. Califano

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
364 KB
Volume
13
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

A brief outline of a method for the calculation of the normal coordinates of mo1ecul.a.r crystals in the entire BrilloGn zone j! presented. Some results on .the lattice frequencies of crystalline benzene and naphthalene, cak _...' culated using pair potential functions, are presented as ekmples. .-..', .' -In re&tit years a great deal of interest has been de-_ ^..,' voted to -the .studi of the dynamics of molecular crys-.. t,aIs..Va;ious papers have been published on the cal-'CH.EMICAL PHYSICS LETTERS

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