PROTONATED ALDEHYDE CLUSTERS - A SEMIEMPIRICAL APPROACH

Authors
AVIYENTE V VARNALI T
Citation
V. Aviyente et T. Varnali, PROTONATED ALDEHYDE CLUSTERS - A SEMIEMPIRICAL APPROACH, Journal of molecular structure, 299, 1993, pp. 191-195
Citations number
8
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure → ACNP
ISSN journal
00222860
Volume
299
Year of publication
1993
Pages
191 - 195
Database
ISI
SICI code
0022-2860(1993)299:<191:PAC-AS>2.0.ZU;2-7
Abstract
The objective was to study the structure and bonding in hydrogen-bonde d complexes. The MOPAC program package was used to determine the optim um geometries, charge distributions, total charges and stabilization e nergies of protonated formaldehyde dimers and protonated acetaldehyde clusters. Their mass spectra have previously been observed.