Computational Chemistry, RMFQT, Talks
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248 Posts
Articles, Chemosensors, Collaborations, Computational Chemistry, Fluorescence, Fluorescence Quenching, Inorganic Chemistry, Paper
Calculation of Intermolecular Interactions for Sensors with Biological Applications
ACS, Computational Chemistry, Inorganic Chemistry, JACS, Paper
Redox Allosteric Control – New communication in JACS
To Chem, or not “Too Chem”? That is the #ChemNobel Question
Computational Chemistry, DFT, Fukui, TD-DFT, Theoretical Chemistry, White papers
The HOMO-LUMO Gap in Open Shell Calculations. Meaningful or meaningless?
Computational Chemistry, Gaussian, NMR, Theoretical Chemistry, Tricks, White papers
Calculating NMR shifts – Short and Long Ways
Computational Chemistry, DFT, Internet, Models, Theoretical Chemistry, Tricks, White papers
Post Calculation Addition of Empirical Dispersion – Fixing interaction energies
Academia, Computational Chemistry, Mental Health, Random thoughts
The Mental Health Problem in Grad School
AIM, Articles, Computational Chemistry, FMO, Photochemistry, Photosysnthesis, Publications, TD-DFT
Mg²⁺ Needs a 5th Coordination in Chlorophylls – New paper in IJQC
Articles, Blogging, Random thoughts, Writing
Dr. Joaquin Barroso's Blog 