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
Lattice-dynamical calculations on solid nitrogen
โ 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
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
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-
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