I am currently using Qchem and as a beginner, I am uncertain which DFT-D has to be used with B3LYP functional within a system containing Donor and acceptor molecules bonded together by hydrogen bonding. 1 post - 1 participant Read full topic

Hello everyone, I am curious if it is possible to simulate UV-Vis spectra using SF-TDDFT methods in Q-Chem? 1 post - 1 participant Read full topic