Quantum chemical approach for condensed-phase thermochemistry: Proposal of a harmonic solvation model-Reference-Cited by-同舟云学术

Quantum chemical approach for condensed-phase thermochemistry: Proposal of a harmonic solvation model

Published:2014-11-07 Issue:17 Volume:141 Page:174106
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Nakai Hiromi¹²³⁴,Ishikawa Atsushi²⁴

Affiliation:

1. Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555, Japan

2. Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555, Japan

3. CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan

4. ESICB, Kyoto University, Kyotodaigaku-Katsura, Kyoto 615-8520, Japan

Funder

Ministry of Education, Culture, Sports, Science, and Technology (MEXT)

Japan Science and Technology Agency (JST)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://scitation.aip.org/deliver/fulltext/aip/journal/jcp/141/17/1.4900629.pdf?itemId=/content/aip/journal/jcp/141/17/10.1063/1.4900629&mimeType=pdf&containerItemId=content/aip/journal/jcp

Reference35 articles.

1. Heats of Formation of CBr, CHBr, and CBr2 from Ab Initio Quantum Chemistry

2. HEAT: High accuracy extrapolatedab initiothermochemistry

3. The diagonal Born–Oppenheimer correction beyond the Hartree–Fock approximation

4. On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase Bond Dissociation Energies of Water and Hydroxyl

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

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