Quantifying partial hole-particle distance at the excited state: A revised version of the DCT index

Implicit solvation using a generalized finite-difference approach in CRYSTAL: implementation and res

Aggregation-caused quenching versus crystallization induced emission in thiazolo[5,4-b]thieno[3,2-e]

Photophysical Properties of Fluorescent Imaging Biological Probes of Nucleic Acids: SAC-CI and TD-DF

Communication: Accurate description of interaction energies and three-body effects in weakly bound m

Pyrimidyl-substituted anthracene fluorophores: Syntheses, absorption spectra, and photophysical prop

A range-separated double-hybrid functional from nonempirical constraints

Accuracy of TD-DFT Geometries: A Fresh Look

Revealing the Origins of Mechanically Induced Fluorescence Changes in Organic Molecular Crystals

Design of dendritic core carbazole-based hole transporting materials for efficient and stable hybrid