Comment on the Correct Use of Continuum Solvent Models-Reference-Cited by-同舟云学术

Comment on the Correct Use of Continuum Solvent Models

Published:2010-12-06 Issue:51 Volume:114 Page:13442-13444
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Ho Junming¹,Klamt Andreas¹,Coote Michelle L.¹

Affiliation:

1. ARC Centre of Excellence for Free-Radical Chemistry and Biotechnology, Research School of Chemistry, Australian National University, Canberra ACT 0200, Australia, COSMOlogic GmbH&CoKG, Burscheider Str. 515, 51381 Leverkusen, Germany, and Institute of Physical and Theoretical Chemistry, University of Regensburg, 93040 Regensburg, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp107136j

Reference27 articles.

1. Quantum Mechanical Continuum Solvation Models

2. Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics

3. COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

4. Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model

5. SM6: A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute−Water Clusters

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