AIM, Articles, Chemistry, Computational Chemistry, DTK, Organic Chemistry, Paper, PCCP, Research, RSC, Theoretical Chemistry

One electron C-C bond or Weak Interaction? New paper in PCCP

December 10, 2025 — 1 Comment

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

ChatGPT in Computational Chemistry

January 24, 2023 — 7 Comments

Articles, Chemical Science, Computational Chemistry, Inorganic Chemistry, Journals, Literature, Mechanism, RSC

Water splitting by proton to hydride umpolung—New paper in Chem.Sci.

December 15, 2021 — 1 Comment

Articles, Blogging, Humor, Journals, Literature, Paper, Random thoughts

Papers for the 21st Century

June 12, 2019 — 0 Comments

Articles, Chemistry, Computational Chemistry, DFT, Paper, Theoretical Chemistry, Thermodynamics

Estimation of pKa Values through Local Electrostatic Potential Calculations

December 27, 2018 — 7 Comments

Articles, Chemosensors, Collaborations, Computational Chemistry, Fluorescence, Fluorescence Quenching, Inorganic Chemistry, Paper

Calculation of Intermolecular Interactions for Sensors with Biological Applications

November 14, 2018 — 3 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, Random thoughts, Writing

I’m done with Computational Studies

May 17, 2018 — 4 Comments

ACS, Articles, Computational Chemistry, FMO, Photochemistry, Photosysnthesis, Proteins

The Evolution of Photosynthesis

October 18, 2017 — 0 Comments

Articles, Computational Chemistry, Inorganic Chemistry, Paper

Collaborations in Inorganic Chemistry

August 16, 2017 — 7 Comments