Prediction of tautomer ratios by embedded-cluster integral equation theory;Erratum: Prediction of tautomer ratios by embedded-cluster integral equation theory (Journal of Computer-Aided Molecular Design DOI 10.1007/s10822-010-9340-x)

Journal of Computer-Aided Molecular Design

Volumn 24, Issue 4, 2010, Pages 355-

  Kast, Stefan M ^a,b   Heil, Jochen ^a,b   Güssregen, Stefan ^c   Schmidt, K Friedemann ^c  

^a TU DORTMUND UNIVERSITY   (Germany)

^b DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^c SANOFI AVENTIS DEUTSCHLAND GMBH   (Germany)

Author keywords

Quantum chemistry; Solvation model; Cluster embedding; Tautomer ratio; 3D RISM theory

Indexed keywords

INTEGRAL EQUATIONS; SOLVATION;

3D RISM THEORY; 3D-RISM; CLUSTER EMBEDDING; CLUSTER INTEGRALS; COMPUTER AIDED MOLECULAR DESIGN; EMBEDDED CLUSTERS; EMBEDDINGS; INTEGRAL-EQUATION THEORY; SOLVATION MODELS; TAUTOMER RATIO;

QUANTUM CHEMISTRY;

ERRATUM; ERROR; PRIORITY JOURNAL;

EID: 77953567275     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-010-9340-x     Document Type: Article

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