Computational Chemistry, Excited State, Photochemistry, Photosysnthesis, QChem, White papers

Restricted Active Space with Double Spin Flip (RAS-2SF) in Q-Chem 5.x

September 11, 2024 — 1 Comment

Coding, Computational Chemistry, Excited State, Fluorescence, Fluorescence Quenching, Photochemistry, Photosysnthesis, TD-DFT

UVeh-Vis v1.1 is now available

January 30, 2024 — 0 Comments

Coding, Computational Chemistry, Excited State, Fluorescence, Photochemistry, Spectroscopy, TD-DFT, Theoretical Chemistry

Plotting UV-Vis spectra from QChem 5.0 calculations (UVeh-Vis)

September 7, 2023 — 0 Comments