High-accuracy extrapolated ab initio thermochemistry. IV. A modified recipe for computational efficiency-Reference-Cited by-同舟云学术

High-accuracy extrapolated ab initio thermochemistry. IV. A modified recipe for computational efficiency

Published:2019-06-14 Issue:22 Volume:150 Page:224102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Thorpe James H.¹^ORCID,Lopez Chris A.²,Nguyen Thanh Lam¹^ORCID,Baraban Joshua H.³^ORCID,Bross David H.⁴^ORCID,Ruscic Branko⁴^ORCID,Stanton John F.¹^ORCID

Affiliation:

1. The Quantum Theory Project, Department of Chemistry, The University of Florida, Gainesville, Florida 32611, USA

2. Department of Chemistry, The University of Texas at Austin, Austin, Texas 78712, USA

3. Department of Chemistry, Ben-Gurion University of the Negev, Be’er-Sheva 8410501, Israel

4. Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, USA

Funder

National Science Foundation

U.S. Department of Energy

Air Force Office of Scientific Research

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.5095937

Reference47 articles.

1. Nobel Lecture: Electronic structure of matter—wave functions and density functionals

2. Introduction to Active Thermochemical Tables: Several “Key” Enthalpies of Formation Revisited

3. Active Thermochemical Tables: thermochemistry for the 21st century

4. Active Thermochemical Tables: Accurate Enthalpy of Formation of Hydroperoxyl Radical, HO2

5. HEAT: High accuracy extrapolatedab initiothermochemistry

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