Quantum chemical approach for condensed-phase thermochemistry (IV): Solubility of gaseous molecules-Reference-Cited by-同舟云学术

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Quantum chemical approach for condensed-phase thermochemistry (IV): Solubility of gaseous molecules

Published:2016-07 Issue: Volume:655-656 Page:103-109
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Ishikawa Atsushi,Kamata Masahiro,Nakai Hiromi^ORCID

Funder

Core Research for Evolutional Science and Technology (CREST) program from the Japan Science and Technology (JST) Agency

Grants-in-Aid for Challenging and Exploratory Research

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

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference50 articles.

1. Henry's Law: A Historical View

2. A critical review of Henry’s law constants for chemicals of environmental interest

3. Henry's law constants for a diverse set of organic chemicals: Experimental determination and comparison of estimation methods

4. Structural effects on rates and equilibriums. XIX. Intrinsic hydrophilic character of organic compounds. Correlations in terms of structural contributions

5. Computer-assisted study of the relationship between molecular structure and Henry's law constant

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1. Computation of rate coefficients in solutions based on transition state theory combined with a heuristically corrected polarizable continuum model: intermolecular Diels–Alder reactions as case studies;Physical Chemistry Chemical Physics;2024

2. Computation of entropy values for non-electrolyte solute molecules in solution based on semi-empirical corrections to a polarized continuum model;Physical Chemistry Chemical Physics;2023

3. A simple heuristic approach to estimate the thermochemistry of condensed-phase molecules based on the polarizable continuum model;Physical Chemistry Chemical Physics;2019

4. Quantum chemical approach for condensed-phase thermochemistry (V): Development of rigid-body type harmonic solvation model;Chemical Physics Letters;2018-05

5. Harmonic Solvation Model (HSM) for Evaluation of Condensed-Phase Free Energy;Journal of Computer Chemistry, Japan;2017

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