Literature DB >> 11667839

A Universal Organic Solvation Model.

David J. Giesen1, Michael Z. Gu, Christopher J. Cramer, Donald G. Truhlar.   

Abstract

Year:  1996        PMID： 11667839     DOI： 10.1021/jo9617427

Source DB:  PubMed          Journal:  J Org Chem        ISSN： 0022-3263            Impact factor:   4.354


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  6 in total

1.  COSMO-RS: a novel view to physiological solvation and partition questions.

Authors:  A Klamt; F Eckert; M Hornig
Journal:  J Comput Aided Mol Des       Date:  2001-04       Impact factor: 3.686

2.  Localization and quantification of hydrophobicity: the molecular free energy density (MolFESD) concept and its application to sweetness recognition.

Authors:  R Jäger; F Schmidt; B Schilling; J Brickmann
Journal:  J Comput Aided Mol Des       Date:  2000-10       Impact factor: 3.686

3.  Use of alignment-free molecular descriptors in diversity analysis and optimal sampling of molecular libraries.

Authors:  Fabien Fontaine; Manuel Pastor; Hugo Gutiérrez-de-Terán; Juan J Lozano; Ferran Sanz
Journal:  Mol Divers       Date:  2003       Impact factor: 2.943

4.  A generalized G-SFED continuum solvation free energy calculation model.

Authors:  Sehan Lee; Kwang-Hwi Cho; Young-Mook Kang; Harold A Scheraga; Kyoung Tai No
Journal:  Proc Natl Acad Sci U S A       Date:  2013-02-01       Impact factor: 11.205

5.  Hyperconjugation-mediated solvent effects in phosphoanhydride bonds.

Authors:  Jean C Summerton; Jeffrey D Evanseck; Michael S Chapman
Journal:  J Phys Chem A       Date:  2012-10-09       Impact factor: 2.781

6.  Calculated conformer energies for organic molecules with multiple polar functionalities are method dependent: Taxol (case study).

Authors:  Ami Lakdawala; Minmin Wang; Neysa Nevins; Dennis C Liotta; Danuta Rusinska-Roszak; Marek Lozynski; James P Snyder
Journal:  BMC Chem Biol       Date:  2001
  6 in total

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