Predicting accurate absolute binding energies in aqueous solution: Thermodynamic considerations for electronic structure methods

Physical Chemistry Chemical Physics

Volumn 17, Issue 19, 2015, Pages 12441-12451

  Jensen, Jan H ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

GAS; LIGAND; PROTEIN; SOLUTION AND SOLUBILITY; WATER;

CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON; GAS; METABOLISM; PH; SOLUTION AND SOLUBILITY; THERMODYNAMICS;

ELECTRONS; GASES; HYDROGEN-ION CONCENTRATION; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEINS; SOLUTIONS; THERMODYNAMICS; WATER;

EID: 84929192572     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c5cp00628g     Document Type: Review

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