Performance of Density Functional Theory for Second Row (4d) Transition Metal Thermochemistry-Reference-Cited by-同舟云学术

Performance of Density Functional Theory for Second Row (4d) Transition Metal Thermochemistry

Published:2013-08-29 Issue:9 Volume:9 Page:3939-3946
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Laury Marie L.¹,Wilson Angela K.¹

Affiliation:

1. Center for Advanced Scientific Computing and Modeling (CASCaM), Department of Chemistry, University of North Texas, Denton, Texas 76203-5017, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400379z

Reference67 articles.

1. Comprehensive Study of the Thermochemistry of First-Row Transition Metal Compounds by Spin Component Scaled MP2 and MP3 Methods

2. Benchmark Study of DFT Functionals for Late-Transition-Metal Reactions

3. Periodic table of 3d-metal dimers and their ions

4. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

5. Density Functionals with Broad Applicability in Chemistry

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