Elaborated thermochemical treatment of HF, CO, N2, and H2O: Insight into HEAT and its extensions-Reference-Cited by-同舟云学术

Elaborated thermochemical treatment of HF, CO, N2, and H2O: Insight into HEAT and its extensions

Published:2021-11-14 Issue:18 Volume:155 Page:184109
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Thorpe James H.¹^ORCID,Kilburn Josie L.¹^ORCID,Feller David²^ORCID,Changala P. Bryan³^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. Washington State University, Pullman, Washington 99164-4630, USA and University of Alabama, Tuscaloosa, Alabama 35487-0336, USA

3. Center for Astrophysics, Harvard|Smithsonian, Cambridge, Massachusetts 02138, USA

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

Funder

U.S. Department of Energy

National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/am-pdf/10.1063/5.0069322

Reference73 articles.

1. Toward subchemical accuracy in computational thermochemistry: Focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers

2. L. A. Curtiss and J. A. Pople, Recent Advances in Computational Thermochemistry and Challenges for the Future (National Research Council (US) Chemical Sciences Roundtable, The National Academies Press, Washington, DC, 1999), pp. 26–34.

3. Cation States of Ethane: HEAT Calculations and Vibronic Simulations of the Photoelectron Spectrum of Ethane

4. The barrier height, unimolecular rate constant, and lifetime for the dissociation of HN2

5. Electron Affinities, Well Depths, and Vibrational Spectroscopy of cis- and trans-HOCO

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