Parametrizing PCM to Obtain Solvation Free Energies from Group Contributions. 1-Reference-Cited by-同舟云学术

Parametrizing PCM to Obtain Solvation Free Energies from Group Contributions. 1

Published:2006-02-24 Issue:11 Volume:110 Page:4034-4041
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

de O. Mendes Carmen Lucia¹,da Silva Clarissa O.¹,da Silva Edilson C.¹

Affiliation:

1. Departamento de Físico-Química, Instituto de Química, Universidade Federal do Rio de Janeiro, Cidade Universitária, Centro de Tecnologia, Rio de Janeiro, RJ CEP-21949-900,Brazil, and Departamento de Química-ICE, Universidade Federal RURAL do Rio de Janeiro, Rodovia BR 465 km 7, Seropédica, RJ-CEP 23890-000, Brazil

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp053520v

Reference57 articles.

1. Multipole Corrections To Account for Structure and Proximity Effects in Group Contribution Methods: Octanol−Water Partition Coefficients

2. COSMO-RS: a novel and efficient method for the a priori prediction of thermophysical data of liquids

3. Henry's law constant of organic compounds in water from a group contribution model with multipole corrections

4. Estimation of Molecular Linear Free Energy Relation Descriptors Using a Group Contribution Approach

5. Refinements on solvation continuum models: Hydrogen-bond effects on the OH stretch in liquid water and methanol

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