A simple formula for dielectric polarisation energies: The Sheffield Solvation Model

Chemical Physics Letters

Volumn 441, Issue 1-3, 2007, Pages 163-166

  Grant, J A ^a,b   Pickup, B T ^a,b   Sykes, M J ^a,b   Kitchen, C A ^a,b   Nicholls, A ^b,c  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

^b ASTRAZENECA   (United Kingdom)

^c OpenEye Scientific Software Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; DIELECTRIC PROPERTIES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PARAMETER ESTIMATION;

ATOMIC ENVIRONMENTS; DIELECTRIC POLARISATION; SHEFFIELD SOLVATION MODEL; SOLVATION ENERGY;

ELECTROSTATIC DEVICES;

EID: 34249804476     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.05.008     Document Type: Article

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