| Literature DB >> 15116363 |
Christopher C Lovallo1, Mariusz Klobukowski.
Abstract
New nonrelativistic and scalar-relativistic pseudopotentials for the second- and third-row transition metals have been developed. These improved Model Core Potentials were used in calculations for a variety of transition metal complexes to test their ability to reproduce experimental structures and vibrational frequencies. Copyright 2004 Wiley Periodicals, Inc.Entities:
Year: 2004 PMID： 15116363 DOI： 10.1002/jcc.20044
Source DB: PubMed Journal: J Comput Chem ISSN： 0192-8651 Impact factor: 3.376