METHODS FOR CALCULATING THE ENTHALPIES OF SUBLIMATION OF ORGANIC MOLECULAR-CRYSTALS

Authors
ARNAUTOVA EA ZAKHAROVA MV PIVINA TS SMOLENSKII EA SUKHACHEV DV SHCHERBUKHIN VV
Citation
Ea. Arnautova et al., METHODS FOR CALCULATING THE ENTHALPIES OF SUBLIMATION OF ORGANIC MOLECULAR-CRYSTALS, Russian chemical bulletin, 45(12), 1996, pp. 2723-2732
Citations number
40
Categorie Soggetti
Chemistry
Journal title
Russian chemical bulletin → ACNP
ISSN journal
10665285
Volume
45
Issue
12
Year of publication
1996
Pages
2723 - 2732
Database
ISI
SICI code
1066-5285(1996)45:12<2723:MFCTEO>2.0.ZU;2-9
Abstract
Four methods for calculating the enthalpies of sublimation of organic molecular crystals based on different methodological approaches are pr oposed. Comparative analysis of these methods was carried out and thei r good predictive ability with respect to various classes of compounds (aliphatic nitro compounds, acyclic and cyclic amines, amides and ami no acids, benzene derivatives, heterocyclic compounds, etc.) was demon strated.