Coding, Computational Chemistry, ELOTE, Excited State, Photochemistry, Software, TD-DFT

ELOTE now works with Open-Shell systems

August 5, 2026 — 0 Comments

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

Coding, Computational Chemistry, Gaussian, GaussView, White papers

Error for Gaussian16 .log files and GaussView5

January 29, 2018 — 16 Comments

Coding, Computational Chemistry, DFT, Fukui, Gaussian, NBO, NBO, White papers

Python scripts for calculating Fukui Indexes

December 20, 2017 — 5 Comments