Potentialphilicity and potentialphobicity: Reactivity indicators for external potential changes from density functional reactivity theory. [electronic resource]
- The Journal of chemical physics Sep 2009
- 114106 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.
1089-7690
10.1063/1.3231687 doi
Binding Sites Computer Simulation Electrons Hydrophobic and Hydrophilic Interactions Mathematical Computing Models, Chemical Models, Molecular Quantum Theory Static Electricity Thermodynamics