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, Computational Chemistry, Gold, Inorganic Chemistry, Paper

Au(I) Chemistry No.3 – New paper in Dalton Transactions

June 1, 2022 — 1 Comment

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

AMBER, Computational Chemistry, DNA, Force Field, Molecular Dynamics, Paper

Non-canonical Base Pairs show Watson-Crick pairing in MD simulations

October 1, 2019 — 0 Comments

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 — 6 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

ACS, Computational Chemistry, Inorganic Chemistry, JACS, Paper

Redox Allosteric Control – New communication in JACS

October 30, 2018 — 0 Comments

ACS, Computational Chemistry, Crystallography, Drug Delivery, Inorganic Chemistry, NBO, Paper

A new paper on the Weak Link Approach

January 10, 2018 — 1 Comment