Performance of the M06 family of functionals in predicting the charge transfer transition energies of molecular complexes of TCNE with a series of methylated indoles

Performance of the M06 family of functionals in predicting the charge transfer transition energies of molecular complexes of TCNE with a series of methylated indoles

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 1068, 15 September 2015, Pages 123-127

Amit S. Tiwary, Kakali Datta, Asok K. Mukherjee,