Determination of molecular structure in terms of potential energy functions from gas-phase electron diffraction supplemented by other experimental and computational data

Citation
Vp. Spiridonov et al., Determination of molecular structure in terms of potential energy functions from gas-phase electron diffraction supplemented by other experimental and computational data, STRUCT CHEM, 12(5), 2001, pp. 349-376
Citations number
232
Categorie Soggetti
Chemistry
Journal title
STRUCTURAL CHEMISTRY
ISSN journal
10400400 → ACNP
Volume
12
Issue
5
Year of publication
2001
Pages
349 - 376
Database
ISI
SICI code
1040-0400(200110)12:5<349:DOMSIT>2.0.ZU;2-G
Abstract
Different approaches of equilibrium structure determinations by the gas-pha se electron diffraction (ED) method or by its combination with other releva nt techniques have been reviewed. Some problems and limitations of these ap proaches are discussed. Special attention is paid to various potential ener gy function models. Different types of equilibrium bond lengths obtained by the optimization of ED data or their combination with experimental and com putational spectroscopic data are compared in tables. Relations between dif ferent types of vibrational corrections are discussed. Structure data deter mined by other methods or approaches are given for comparison.