Computational Chemistry, Internet, Spectroscopy, Theoretical Chemistry, Thermodynamics

NIST CCCBDB – Vibrational Scaling Factors & ThermoChem Data

July 23, 2020 — 0 Comments

Academia, Literature, Paper, Publications

On Putting up with Rejections Letters

July 16, 2020 — 6 Comments

Chemistry, Twitter

The #LatinxChem Twitter Poster Contest

July 8, 2020 — 0 Comments

Academia

I Want You!

June 2, 2020 — 1 Comment

Computational Chemistry, DFT, Fluorescence, Gaussian, Models, NBO, NBO, Spectroscopy, TD-DFT, Tricks, Visualization, White papers

Natural Transition Orbitals (NTOs) Gaussian

April 6, 2020 — 29 Comments

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

DFT Estimation of pKb Values – New Paper in JCIM

March 11, 2020 — 2 Comments

Alumni, AMBER, Computational Chemistry, Drug Delivery, Molecular Dynamics, Proteins

A New Gradúate Student. Raúl Márquez

March 3, 2020 — 1 Comment

Computational Chemistry

Locked out of your Linux Session

February 11, 2020 — 0 Comments

Alumni, Blogging, Computational Chemistry, UNAM

Good Luck to Dr. Jacinto Sandoval

January 30, 2020 — 1 Comment

Computational Chemistry

The International Year of the Periodic Table #IYPT2019 and the Tie that Binds

December 17, 2019 — 0 Comments