Generic solvent sites in a crystal

Mihaly Mezei, David L. Beveridge

Research output: Contribution to journalArticlepeer-review

16 Scopus citations

Abstract

A numerical procedure is described and tested for the determination of solvent sites in a crystal hydrate from computer simulation results. The method does not require the computation of density distributions.

Original languageEnglish
Pages (from-to)523-527
Number of pages5
JournalJournal of Computational Chemistry
Volume5
Issue number6
DOIs
StatePublished - Dec 1984
Externally publishedYes

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