Highly Accurate First-Principles Benchmark Data Sets for the Parametrization and Validation of Density Functional and Other Approximate Methods. Derivation of a Robust, Generally Applicable, Double-Hybrid Functional for Thermochemistry and Thermochemical Kinetics-Reference-Cited by-同舟云学术

Highly Accurate First-Principles Benchmark Data Sets for the Parametrization and Validation of Density Functional and Other Approximate Methods. Derivation of a Robust, Generally Applicable, Double-Hybrid Functional for Thermochemistry and Thermochemical Kinetics

Published:2008-08-20 Issue:50 Volume:112 Page:12868-12886
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Karton Amir¹,Tarnopolsky Alex¹,Lamère Jean-François¹,Schatz George C.¹,Martin Jan M. L.¹

Affiliation:

1. Department of Organic Chemistry, Weizmann Institute of Science, IL-76100 Rechovot, Israel, and Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Il 60208-3113

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp801805p

Reference130 articles.

1. Double-Hybrid Functionals for Thermochemical Kinetics

2. Doubly Hybrid Meta DFT: New Multi-Coefficient Correlation and Density Functional Methods for Thermochemistry and Thermochemical Kinetics

3. Multi-coefficient extrapolated density functional theory for thermochemistry and thermochemical kinetics

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