Comparative Study of Single and Double Hybrid Density Functionals for the Prediction of 3d Transition Metal Thermochemistry-Reference-Cited by-同舟云学术

Comparative Study of Single and Double Hybrid Density Functionals for the Prediction of 3d Transition Metal Thermochemistry

Published:2012-09-06 Issue:11 Volume:8 Page:4102-4111
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Jiang Wanyi¹,Laury Marie L.¹,Powell Mitchell¹,Wilson Angela K.¹

Affiliation:

1. Department of Chemistry and Center for Advanced Scientific Computing and Modeling (CASCaM), 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/ct300455e

Reference80 articles.

1. Density functional theory for transition metals and transition metal chemistry

2. Geometries of Transition-Metal Complexes from Density-Functional Theory

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

4. Vibrational corrections to geometries of transition metal complexes from density functional theory

5. Geometries of Third-Row Transition-Metal Complexes from Density-Functional Theory

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