Solvation effects on chemical shifts by embedded cluster integral equation theory

Journal of Physical Chemistry A

Volumn 118, Issue 49, 2014, Pages 11620-11628

  Frach, Roland ^a   Kast, Stefan M ^a  

^a TU DORTMUND UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIFT; COMPUTATION THEORY; CONTINUUM MECHANICS; ELECTROSTATICS; QUANTUM THEORY; SOLVENTS;

COMPUTATIONAL METHODOLOGY; COMPUTATIONAL PREDICTIONS; DIRECTIONAL INTERACTIONS; NUCLEAR MAGNETIC RESONANCE(NMR); POLARIZABLE CONTINUUM MODEL; REFERENCE INTERACTION SITE MODELS; SIMPLE POINT CHARGE MODELS; SOLUTE-SOLVENT INTERACTION;

INTEGRAL EQUATIONS;

EID: 84916604244     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp5084407     Document Type: Article

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