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Reference interaction site model with structural descriptors correction as an efficient tool for hydration free energy predictions

Ratkova, Ekaterina L. and Sergiievskyi, Volodymyr P. and Chuev, Gennady N. and Fedorov, Maxim V. (2011) Reference interaction site model with structural descriptors correction as an efficient tool for hydration free energy predictions. Abstracts of papers - American Chemical Society, 241. -. ISSN 0065-7727

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Abstract

This abstract discusses reference interaction site models with structural descriptors correction as an efficient tool for hydration free energy predictions.

Item type: Article
ID code: 35666
Keywords: interaction site model, energy predictions, Physical and theoretical chemistry
Subjects: Science > Chemistry > Physical and theoretical chemistry
Department: Faculty of Science > Physics
Technology and Innovation Centre > Bionanotechnology
Related URLs:
    Depositing user: Pure Administrator
    Date Deposited: 09 Nov 2011 11:51
    Last modified: 12 Jun 2013 14:33
    URI: http://strathprints.strath.ac.uk/id/eprint/35666

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