Liu, Shubin

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