Acidity in DMSO from the embedded cluster integral equation quantum solvation model

Journal of Molecular Modeling

Volumn 20, Issue 4, 2014, Pages

  Heil, Jochen ^a   Tomazic, Daniel ^a   Egbers, Simon ^a   Kast, Stefan M ^a  

^a TU DORTMUND UNIVERSITY   (Germany)

Author keywords

3D RISM; DMSO solvent; EC RISM; Embedded cluster

Indexed keywords

DIMETHYL SULFOXIDE; PROTON; SOLVENT;

ACIDITY; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CLUSTER ANALYSIS; LINEAR REGRESSION ANALYSIS; MODEL; POLARIZABLE CONTINUUM MODEL; PRIORITY JOURNAL; QUALITY CONTROL; QUANTUM CHEMISTRY; SOLUTE; SOLVATION; STRUCTURAL EQUATION MODELING; ALGORITHM; CHEMISTRY; QUANTUM THEORY; THEORETICAL MODEL;

ALGORITHMS; DIMETHYL SULFOXIDE; MODELS, THEORETICAL; QUANTUM THEORY; SOLVENTS;

EID: 84896423445     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2161-4     Document Type: Article

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