Computational Chemistry, Gaussian, Tricks, White papers
Tag: Theoretical Chemistry
77 Posts
Causality, Computational Chemistry, Models, Organic Chemistry, Reaction Mechanisms, Thermodynamics
Submerged Reaction Energy Barriers
Computational Chemistry, Gaussian, Theoretical Chemistry, White papers
Basis Set Superposition Error (BSSE). A short intro
Computational Chemistry, DFT, Fluorescence, FMO, GaussView, NBO, NBO, Photochemistry, Quantum Mechanics, TD-DFT, Theoretical Chemistry, Visualization, White papers
Orbital Contributions to Excited States
Computational Chemistry, RMFQT, Talks, Theoretical Chemistry
XVIII RMFQT
Computational Chemistry, Gaussian, Reaction Mechanisms, Theoretical Chemistry, Thermodynamics, White papers
Useful Thermochemistry from Gaussian Calculations
Computational Chemistry, Crystallography, Molecular Dynamics, NMR, Tricks
Using PDB files for Electronic Structure Calculations
Articles, Chemistry, Computational Chemistry, DFT, Paper, Theoretical Chemistry, Thermodynamics
Estimation of pKa Values through Local Electrostatic Potential Calculations
Academia, CINVESTAV, Computational Chemistry, Research, RMFQT, Theoretical Chemistry
Dr. Gabriel Merino wins The Walter Kohn Prize 2018
Blogging, Computational Chemistry, CUDA, DFT, Journals, Quantum Mechanics, Random thoughts, Research, RMFQT, Talks, Theoretical Chemistry
Dr. Joaquin Barroso's Blog 