Footprinting molecular electrostatic potential surfaces for calculation of solvation energies

Physical Chemistry Chemical Physics

Volumn 15, Issue 41, 2013, Pages 18262-18273

  Calero, Christian Solis ^a   Farwer, Jochen ^a   Gardiner, Eleanor J ^a   Hunter, Christopher A ^a   MacKey, Mark ^b   Scuderi, Serena ^a   Thompson, Stuart ^a   Vinter, Jeremy G ^b  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

^b Cresset BioMolecular Discovery Ltd   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALKANE; HEXADECANE; N-HEXADECANE; SOLVENT; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; HYDROGEN BOND; STATIC ELECTRICITY; THERMODYNAMICS;

ALKANES; HYDROGEN BONDING; MODELS, MOLECULAR; SOLVENTS; STATIC ELECTRICITY; THERMODYNAMICS; WATER;

EID: 84885153624     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c3cp53158a     Document Type: Article

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