THEORETICAL CALCULATIONS OF HEAVY-ATOM ISOTOPE EFFECTS

Authors
PANETH P
Citation
P. Paneth, THEORETICAL CALCULATIONS OF HEAVY-ATOM ISOTOPE EFFECTS, Computers & chemistry, 19(1), 1995, pp. 11-20
Citations number
68
Categorie Soggetti
Computer Application, Chemistry & Engineering",Chemistry,"Computer Science Interdisciplinary Applications
Journal title
Computers & chemistry → ACNP
ISSN journal
00978485
Volume
19
Issue
1
Year of publication
1995
Pages
11 - 20
Database
ISI
SICI code
0097-8485(1995)19:1<11:TCOHIE>2.0.ZU;2-3
Abstract
An overview of calculations of isotope effects on biochemical and chem ical reactions using quantum chemistry methods is presented. Usefulnes s of different levels of theoretical scrutiny for such calculations is critically discussed.