Prediction of flux through polydimethylsiloxane membranes using atomic charge calculations: Application to an extended data set
Author:
Publisher
Elsevier BV
Subject
Pharmaceutical Science
Reference21 articles.
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3. Use of calculated quantum chemical properties as surrogates for solvatochromic parameters in structure-activity relationship;Cramer;Acc. Chem. Res.,1993
4. Iterative partial equilization of orbital electronegativity - A rapid access to atomic charges;Gasteiger;Tetrahedron,1980
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