학술논문
Electronic structure and reactions of transition metal complexes using effective core potentials
Document Type
Conference
Author
Source
Conference: NATO conference on quantum chemistry: the challenge of transition metals and coordination chemistry, Strasbourg, France, 16 Sep 1985
Subject
Language
English
Abstract
Effective core potentials are employed to study the geometries and binding of the species MCO and M(CO)/sub 4/ for M=Ni, Pd and Pt, and addition reactions of H/sub 2/ to W(d/sup 6/) and Pt(d/sup 10/) centers. Moller-Plesset perturbation theory is assessed as a means of incorporating electron correlation effects in transition metal species. 15 refs., 1 fig., 4 tabs.