Gjergji Sini

Evaluating the Performance of DFT Functionals in Assessing the Interaction Energy and Ground-State Charge Transfer of Donor/Acceptor Complexes: Tetrathiafulvalene-Tetracyanoquinodimethane (TTF-TCNQ) as a Model Case.

Jean-Luc Brédas, Gjergji Sini, John S Sears, 2011, Journal of chemical theory and computation.