Linear boundaries of the overlap ranges of specific and van der Waals interactions in molecular crystals

Authors
Zefirov, YV
Citation
Yv. Zefirov, Linear boundaries of the overlap ranges of specific and van der Waals interactions in molecular crystals, RUSS J IN C, 46(4), 2001, pp. 573-576
Citations number
29
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
ISSN journal
00360236 → ACNP
Volume
46
Issue
4
Year of publication
2001
Pages
573 - 576
Database
ISI
SICI code
0036-0236(200104)46:4<573:LBOTOR>2.0.ZU;2-M
Abstract
The upper bound of the overlap range of specific and van der Waals (vdW) in teractions is discussed. An algorithm is presented to find this bound for 6 4 types of interatomic contacts in molecular crystals. For the X-H . .O typ e of hydrogen bond, evidence is given of a correlation between crystal and spectroscopic data.