A NEW POTENTIAL FOR THE DESCRIPTION OF INTERMOLECULAR INTERACTIONS FOR RIGID BIAXIAL MOLECULES

Authors
GINZBURG VV GLASER MA CLARK NA
Citation
Vv. Ginzburg et al., A NEW POTENTIAL FOR THE DESCRIPTION OF INTERMOLECULAR INTERACTIONS FOR RIGID BIAXIAL MOLECULES, Chemical physics, 214(2-3), 1997, pp. 253-260
Citations number
18
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics → ACNP
ISSN journal
03010104
Volume
214
Issue
2-3
Year of publication
1997
Pages
253 - 260
Database
ISI
SICI code
0301-0104(1997)214:2-3<253:ANPFTD>2.0.ZU;2-D
Abstract
We propose a five-parameter potential describing the intermolecular va n der Waals interaction of rigid biaxial molecules. The energy anisotr opy of the potential is calculated analytically from the shape anisotr opy assuming a Gaussian density profile. The calculated potential is s uccessfully fitted to realistic molecular mechanics data for the famil y of polyphenyls and bimethyl-polyphenyls.