Quantitative Computational Thermochemistry of Transition Metal Species-Reference-Cited by-同舟云学术

Quantitative Computational Thermochemistry of Transition Metal Species

Published:2007-05-15 Issue:44 Volume:111 Page:11269-11277
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

DeYonker Nathan J.¹,Peterson Kirk A.¹,Steyl Gideon¹,Wilson Angela K.¹,Cundari Thomas R.¹

Affiliation:

1. Center for Advanced Scientific Computing and Modeling (CASCaM), Department of Chemistry, University of North Texas, Denton, Texas 76203, Department of Chemistry, Washington State University, Pullman, Washington 99164, and Department of Chemistry, The University of the Free State, Bloemfontein, South Africa 9301

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0715023

Reference100 articles.

1. Curtiss, L. A.; Redfern, P. C.; Frurip, D. J. InReviews of ComputationalChemistry;Lipkowitz, K. B., Boyd, D. B., Eds.; Wiley-VCH: New York, 2000; Vol. 15, p 147.

2. Gaussian-3 (G3) theory for molecules containing first and second-row atoms

3. Gaussian-3 and related methods for accurate thermochemistry

4. Gaussian-3 theory using density functional geometries and zero-point energies

5. Gaussian-3X (G3X) theory: Use of improved geometries, zero-point energies, and Hartree–Fock basis sets

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