|
Volumn 5, Issue 98, 2015, Pages 80634-80642
|
In silico prediction of linear free energy relationship descriptors of neutral and ionic compounds
|
Author keywords
[No Author keywords available]
|
Indexed keywords
ALKALINITY;
ATOMS;
CHEMICAL BONDS;
CHEMICAL COMPOUNDS;
COMPUTATION THEORY;
DENSITY FUNCTIONAL THEORY;
ETHYLENE;
ETHYLENE GLYCOL;
FORECASTING;
HYDROGEN BONDS;
MOLECULES;
PROPYLENE;
REFRACTION;
VAN DER WAALS FORCES;
COMPUTATIONAL CALCULATIONS;
HYDROGEN BOND DONORS;
LINEAR FREE ENERGY RELATIONSHIPS;
MOLAR REFRACTIONS;
PHYSICOCHEMICAL PROPERTY;
POLAR SURFACE AREAS;
PROPYLENE CARBONATE;
REASONABLE ACCURACY;
FREE ENERGY;
|
EID: 84942278812
PISSN: None
EISSN: 20462069
Source Type: Journal
DOI: 10.1039/c5ra13595h Document Type: Article |
Times cited : (27)
|
References (31)
|