THEORETICAL-STUDY OF STRUCTURE AND BASICITY OF SOME ALKALI-METAL OXIDES, HYDROXIDES, AND AMIDES

Authors
BURK P KOPPEL I
Citation
P. Burk et I. Koppel, THEORETICAL-STUDY OF STRUCTURE AND BASICITY OF SOME ALKALI-METAL OXIDES, HYDROXIDES, AND AMIDES, International journal of quantum chemistry, 51(5), 1994, pp. 313-318
Citations number
15
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
51
Issue
5
Year of publication
1994
Pages
313 - 318
Database
ISI
SICI code
0020-7608(1994)51:5<313:TOSABO>2.0.ZU;2-3
Abstract
Ab initio (TZV, SBK*, and 3-21G* or 6-31G* basis sets) calculations w ere Performed to predict the geometries and gas-phase proton affinitie s of Li2O, LiOH, LiNH2, Na2O, NaOH, NaNH2, K2O, KOH, and KNH2. (C) 199 4 John Wiley & Sons, Inc.