Combination of RISM and Cheminformatics for Efficient Predictions of Hydration Free Energy of Polyfragment Molecules: Application to a Set of Organic Pollutants-Reference-Cited by-同舟云学术

Combination of RISM and Cheminformatics for Efficient Predictions of Hydration Free Energy of Polyfragment Molecules: Application to a Set of Organic Pollutants

Published:2011-04-22 Issue:5 Volume:7 Page:1450-1457
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ratkova Ekaterina L.¹,Fedorov Maxim V.¹

Affiliation:

1. The Max Planck Institute for Mathematics in the Sciences, Inselstrasse 22, Leipzig, 04103, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct100654h

Reference69 articles.

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2. On the Physicochemical Aspects of the Global Fate and Long-Range Atmospheric Transport of Persistent Organic Pollutants

3. Aarhus Protocol on Persistent Organic Pollutants (POPs).http://www.unece.org/env/lrtap/pops_h1.htm(accessed December 18, 2009) .

4. Persistent organic pollutants (POPs): state of the science

5. Atmospheric and Environmental Physical Chemistry: Pollutants without Borders

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