Chemistry, Computational Chemistry, Mathematics, Models, Philosophy, Quantum Mechanics, Theoretical Chemistry
Category: Models
26 Posts
Computational Chemistry, Gaussian, Models, Theoretical Chemistry, White papers
Percentage of Molecular Orbital Composition – G09,G16
Causality, Computational Chemistry, Models, Organic Chemistry, Reaction Mechanisms, Thermodynamics
Submerged Reaction Energy Barriers
Computational Chemistry, DFT, Fluorescence, Gaussian, Models, NBO, NBO, Spectroscopy, TD-DFT, Tricks, Visualization, White papers
Natural Transition Orbitals (NTOs) Gaussian
Chemistry, Computational Chemistry, JCIM, Models, Proteins, Publications
DFT Estimation of pKb Values – New Paper in JCIM
Computational Chemistry, DFT, Internet, Models, Theoretical Chemistry, Tricks, White papers
Post Calculation Addition of Empirical Dispersion – Fixing interaction energies
Causality, Mathematics, Models, Theoretical Chemistry
All you wanted to know about Hybrid Orbitals…
History of science, Literature, Mathematics, Models, Quantum Mechanics, Scandal, Theoretical Chemistry
No, seriously, why can’t orbitals be observed?
Computational Chemistry, Gaussian, Models, Theoretical Chemistry, Tricks, White papers
The “art” of finding Transition States Part 2
Computational Chemistry, Gaussian, GaussView, Models, Research, Theoretical Chemistry, Tricks, White papers
Dr. Joaquin Barroso's Blog 