MOLECULAR-STRUCTURE OF BETAINE AB-INITIO STUDY

Authors
LATAJKA Z RATAJCZAK H
Citation
Z. Latajka et H. Ratajczak, MOLECULAR-STRUCTURE OF BETAINE AB-INITIO STUDY, Bulletin of the Polish Academy of Sciences. Chemistry, 43(2), 1995, pp. 103-107
Citations number
15
Categorie Soggetti
Chemistry
Journal title
Bulletin of the Polish Academy of Sciences. Chemistry → ACNP
ISSN journal
02397285
Volume
43
Issue
2
Year of publication
1995
Pages
103 - 107
Database
ISI
SICI code
0239-7285(1995)43:2<103:MOBAS>2.0.ZU;2-9
Abstract
The molecular structure and properties of the betaine, (carboxymethyl) trimethylammonium, (CH3)NCH2COO, was investigated using ab initio (at the Hartree-Fock and Density Functional Theory Levels) and semiempiric al (AM1, PM3) methods.