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

ACS, AI, Artificial Intelligence, Collaborations, Computational Chemistry, DFT, Inorganic Chemistry, Models, Research, Theoretical Chemistry, Thermodynamics

pka values for Arsonic Acids – New paper in ACS Omega

January 22, 2025 — 0 Comments

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

ChatGPT in Computational Chemistry

January 24, 2023 — 7 Comments

Computational Chemistry, JCTC, Molecular Dynamics, Paper, Photochemistry, Photosysnthesis, Research, TD-DFT

Photosynthesis in the near-IR. A New paper in JCTC

June 29, 2022 — 1 Comment

Chemistry, Green Chemistry, History of science, Research, Science

Mario Molina, Nobel Laureate. Rest In Peace

October 7, 2020 — 2 Comments

Academia, CINVESTAV, Computational Chemistry, Research, RMFQT, Theoretical Chemistry

Dr. Gabriel Merino wins The Walter Kohn Prize 2018

December 14, 2018 — 2 Comments

Blogging, Computational Chemistry, CUDA, DFT, Journals, Quantum Mechanics, Random thoughts, Research, RMFQT, Talks, Theoretical Chemistry

Computational Chemistry from Latin America

December 12, 2018 — 2 Comments

Computational Chemistry, Health, Research

Our first dabble in #MedChem through #CompChem

January 18, 2018 — 6 Comments

Articles, Blogging, Humor, Random thoughts, Research

The Gossip Approach to Scientific Writing

July 11, 2017 — 1 Comment

Articles, Computational Chemistry, DNA, Journals, Molecular Dynamics, Paper, PCCP, Research, Theoretical Chemistry

Stability of Unnatural DNA – @PCCP #CompChem

April 19, 2017 — 1 Comment