AI, Articles, Artificial Intelligence, Blogging, Coding, Computational Chemistry, Publications, Research

ChatGPT in Computational Chemistry

January 24, 2023 — 6 Comments

Chemistry, Computational Chemistry, Inorganic Chemistry, NBO, Paper, Publications, Reaction Mechanisms

Aurides Chemistry – New Paper in Organometallics

November 17, 2020 — 0 Comments

Academia, Literature, Paper, Publications

On Putting up with Rejections Letters

July 16, 2020 — 6 Comments

Chemistry, Computational Chemistry, JCIM, Models, Proteins, Publications

DFT Estimation of pKb Values – New Paper in JCIM

March 11, 2020 — 0 Comments

AIM, Articles, Computational Chemistry, FMO, Photochemistry, Photosysnthesis, Publications, TD-DFT

Mg²⁺ Needs a 5th Coordination in Chlorophylls – New paper in IJQC

May 23, 2018 — 2 Comments

Articles, Blogging, Computational Chemistry, Internet, Literature, Publications, Theoretical Chemistry

I’m putting a new blog out there

March 29, 2017 — 4 Comments

Articles, Publications, Spectroscopy

Simulation of Raman Spectroscopy and crystal cell effects – Selenium Carboxylate Eur. J. Inorg. Chem.

August 25, 2015 — 0 Comments

Publications, Random thoughts

On Being Scooped… And Worse Things

May 5, 2015 — 3 Comments