Geometries of Second-Row Transition-Metal Complexes from Density-Functional Theory-Reference-Cited by-同舟云学术

Geometries of Second-Row Transition-Metal Complexes from Density-Functional Theory

Published:2007-10-19 Issue:6 Volume:3 Page:2234-2242
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Waller Mark P.¹,Braun Heiko¹,Hojdis Nils¹,Bühl Michael¹

Affiliation:

1. Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr, Germany, and Bergische Universität Wuppertal, Fachbereich Mathematik und Naturwissenschaften, D-42097 Wuppertal, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct700178y

Reference70 articles.

1. Basis Set Effects in Density Functional Calculations on the Metal−Ligand and Metal−Metal Bonds of Cr(CO)5−CO and (CO)5Mn−Mn(CO)5

2. Exchange-correlation density functional beyond the gradient approximation

3. Development and assessment of new exchange-correlation functionals

4. Databases for Transition Element Bonding: Metal−Metal Bond Energies and Bond Lengths and Their Use To Test Hybrid, Hybrid Meta, and Meta Density Functionals and Generalized Gradient Approximations

5. Density Functionals for Inorganometallic and Organometallic Chemistry

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