Methods for calculating the enthalpies of sublimation of organic molecular crystals

Methods for calculating the enthalpies of sublimation of organic molecular crystals Full article

Journal

Russian Chemical Bulletin
ISSN: 1573-9171 , E-ISSN: 1066-5285

Output data

Year: 1996, Volume: 45, Number: 12, Pages: 2723-2732 Pages count : 10 DOI: 10.1007/bf01430630

Authors

Arnautova E.A. ¹ , Zakharova M.V. ¹ , Pivina T.S. ¹ , Smolenskii E.A. ¹ , Sukhachev D.V. ¹ , Shcherbukhin V.V. ¹

Affiliations

1	N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation

Four methods for calculating the enthalpies of sublimation of organic molecular crystals based on different methodological approaches are proposed. Comparative analysis of these methods was carried out and their good predictive ability with respect to various classes of compounds (aliphatic nitro compounds, acyclic and cyclic amines, amides and amino acids, benzene derivatives, heterocyclic compounds,etc.) was demonstrated.

Arnautova E.A. , Zakharova M.V. , Pivina T.S. , Smolenskii E.A. , Sukhachev D.V. , Shcherbukhin V.V.
Methods for calculating the enthalpies of sublimation of organic molecular crystals
Russian Chemical Bulletin. 1996. V.45. N12. P.2723-2732. DOI: 10.1007/bf01430630 WOS Scopus OpenAlex

Web of science:	WOS:A1996XA58800008
Scopus:	2-s2.0-0030336239
OpenAlex:	W2090884216

DB	Citing
OpenAlex	22
Scopus	23
Web of science	21