July - 2018

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

The Journal of Chemical Physics 2018 DOI: 10.1063/1.5042153 We apply a recently developed parameter-free double-hybrid density functional...

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

Dyes and Pigments 2018 DOI: 10.1016/j.dyepig.2018.07.027 Twelve new polycyclic aromatic chromophores whose structures recall...

Chemical Theory and Modelling Group