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Lattice-dynamical calculations on solid nitrogen

โœ Scribed by Giuseppe Filippini; Carlo M. Gramaccioli; Massimo Simonetta; Giuseppe B. Suffritti


Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
425 KB
Volume
40
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


On the lattice dynamics of solid nitroge
โœ T. Luty; G.S. Pawley ๐Ÿ“‚ Article ๐Ÿ“… 1974 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 425 KB

Lattice statics and dynamics calculations for cu-nitrogen have bees done using the fi-exp aeoin-atom titenction to derive intennoldcular forces. The three pammeters of this interaction ue reduced to one by cunskeining them so that the uo.it cell and sublimation energy are calculated to agree with ex

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Lattice+dynamical calculations for evidently non-rigid molecules of aromatic hydrocarbons have been carried out on tetracene and pentacene. In these substances, "out-of-pf;ute" vibrations niix extensively with lattice vt%rations, and signif& cant differences can be noted between results from a Xgid-

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For crystalbrie fluorene, carbazole, dibenzofuran and dibenzothlophen several propertles have been calculated using semiemplrlcal atom-atom potentrals Calculated geometrxal parameters. Raman-actlvc htt:ce frcquencles, cnthalples of subhma-Uon and crystallographic temperature factors agree with obser