Coding, Computational Chemistry, ELOTE, Excited State, Gaussian, Photochemistry, Software, TD-DFT, Theoretical Chemistry, White papers

ELOTE: Making Sense of Your TD-DFT Excited States

May 27, 2026 — 1 Comment

History of science, Literature, Mathematics, Models, Quantum Mechanics, Scandal, Theoretical Chemistry

No, seriously, why can’t orbitals be observed?

July 26, 2017 — 5 Comments

Computational Chemistry, Gaussian, Models, Quantum Mechanics, Science, Theoretical Chemistry, White papers

Polarizability and Hyperpolarizability in Gaussian

July 27, 2012 — 35 Comments