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Electrostatic component of solvation: Comparison of SCRF continuum models
Carles Curutchet
,
Christopher J. Cramer
,
Donald G. Truhlar
, Manuel F. Ruiz-López
, Daniel Rinaldi
, Modesto Orozco
, F. Javier Luque
Administration (CSENG)
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
90
Scopus citations
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Keyphrases
Solvation
100%
Solute
100%
Continuum Model
100%
Self-consistent Reaction Field
100%
Quantum Mechanical
50%
Charge Density
50%
Dipole Moment
50%
Polar Groups
50%
Liquid Phase
50%
Polarizable Continuum Model
50%
Solvation Free Energy
50%
Reaction Field
50%
Expansion Model
50%
Electrostatic Contribution
50%
Systematic Comparison
50%
Generalized Born Model
50%
Reaction Field Method
50%
Multipolar Expansion
50%
Dielectric Permittivity
50%
Engineering
Continuum Model
100%
Dielectrics
50%
Electrostatic Contribution
50%
Charge Density
50%
Liquid Phase
50%
Field Method
50%
Polar Group
50%
Dipole Moment
50%
Physics
Electrostatics
100%
Solvation
100%
Permittivity
50%
Dipole Moment
50%
Liquid Phase
50%
Free Energy
50%
Chemistry
Solvation
100%
Self-Consistent Reaction Field
100%
Dipole Moment
50%
Charge Density
50%
Free Energy
50%
Permittivity
50%
Chemical Engineering
Free Energy
100%