Advanced Search
Now showing items 1-10 of 11
How to Compute the Fukui Matrix and Function for Systems with (Quasi-)Degenerate States
(American Chemical Society, 2014)
Atomic Charges and the Electrostatic Potential Are Ill-Defined in Degenerate Ground States
(American Chemical Society, 2013)
The Fukui Potential and the Capacity of Charge and the Global Hardness of Atoms
(AMER CHEMICAL SOC, 2011-02-25)
Symmetric nonlocal weighted density approximations from the exchange-correlation hole of the uniform electron gas
(American Chemical Society, 2012)
Understanding chemical reactivity in extended systems: exploring models of chemical softness in carbon nanotubes
(Peking University Press, 2018)
Quantitative electrophilicity measures
(Peking University Press, 2018)