High-Level Quantum Chemistry Reference Heats of Formation for a Large Set of C, H, N, and O Species in the NIST Chemistry Webbook and the Identification and Validation of Reliable Protocols for Their Rapid Computation-Reference-Cited by-同舟云学术

High-Level Quantum Chemistry Reference Heats of Formation for a Large Set of C, H, N, and O Species in the NIST Chemistry Webbook and the Identification and Validation of Reliable Protocols for Their Rapid Computation

Published:2022-07-25 Issue:30 Volume:126 Page:4981-4990
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Chan Bun¹^ORCID

Affiliation:

1. Graduate School of Engineering, Nagasaki University, Bunkyo 1-14, Nagasaki 852-8521, Japan

Funder

Hyogo Science and Technology Association

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c03846

Reference59 articles.

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3. Applications of isodesmic‐type reactions for computational thermochemistry

4. Development and assessment of new exchange-correlation functionals

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