Chemistry, Computational Chemistry, DFT, Excited State, Fukui, Gaussian, NBO, Photochemistry, TD-DFT, Theoretical Chemistry, Tricks, White papers
Tag: Theoretical Chemistry
75 Posts
Computational Chemistry, JCTC, Molecular Dynamics, Paper, Photochemistry, Photosysnthesis, Research, TD-DFT
Photosynthesis in the near-IR. A New paper in JCTC
Computational Chemistry, Gaussian, Models, Theoretical Chemistry, White papers
Percentage of Molecular Orbital Composition – G09,G16
Chemistry, Computational Chemistry, Gold, Inorganic Chemistry, Paper
Au(I) Chemistry No.3 – New paper in Dalton Transactions
Chemistry, Coding, Computational Chemistry, DFT, Patents, Talks, Theoretical Chemistry
DFT beyond academia
Exciton Energy Transfer-Talk at the Virtual Winter School of Comp.Chem. 2022
Articles, Chemical Science, Computational Chemistry, Inorganic Chemistry, Journals, Literature, Mechanism, RSC
Water splitting by proton to hydride umpolung—New paper in Chem.Sci.
Computational Chemistry, RMFQT, Twitter
XIX RMFQT – National Meeting on TheoPhysChem
Computational Chemistry, Gaussian, Tricks, White papers
Fixing the error: Bad data into FinFrg
Causality, Computational Chemistry, Models, Organic Chemistry, Reaction Mechanisms, Thermodynamics
Dr. Joaquin Barroso's Blog 