Probing the thermodynamics of competitive ion binding using minimum energy structures

Journal of Physical Chemistry B

Volumn 115, Issue 29, 2011, Pages 9116-9129

  Rogers, David M ^a   Rempe, Susan B ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; IONS; LIGANDS; MOLECULAR BIOLOGY; QUANTUM THEORY; THERMODYNAMIC PROPERTIES;

BIOCHEMICAL PATHWAY; BIOLOGICAL ENVIRONMENTS; COMPUTATIONAL COSTS; CONFIGURATION SPACE; COORDINATION STRUCTURES; INTERACTION ENERGIES; ION BINDING; ION SELECTIVITY; MINIMUM-ENERGY STRUCTURES; OVERALL REACTIONS; POLAR ENVIRONMENTS; QUANTUM-MECHANICAL TREATMENTS; SITE GEOMETRY; THERMODYNAMIC CYCLE; WATER CLUSTER;

BINDING ENERGY;

EID: 84961983595     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2012864     Document Type: Article

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