Computational Chemistry, Models, NBO, NBO, Software, Theoretical Chemistry, Visualization, White papers
Category: Models
30 Posts
Computational Chemistry, Gaussian, Models, Theoretical Chemistry, White papers
Delta G of solvation in Gaussian09
Articles, Computational Chemistry, Models, Paper, Quantum Mechanics, Research, Theoretical Chemistry
The Local Bond Order, LBO (Barroso et al. 2004)
Computational Chemistry, Gaussian, Models, Quantum Mechanics, Science, Theoretical Chemistry, White papers
Polarizability and Hyperpolarizability in Gaussian
Blogging, Computational Chemistry, Models, Software, Theoretical Chemistry, Tricks, Visualization, White papers
Computational Chemistry, Gaussian, Models, Software, Theoretical Chemistry, White papers
The Gen keyword in Gaussian. Adding an external basis set.
Computational Chemistry, Gaussian, Models, Software, Theoretical Chemistry, White papers
Polarizable Continuum Model (PCM) in G09 (Part II)
Computational Chemistry, Gaussian, Models, White papers
Multiconfigurational methods (CI, CC, CASSCF, CASPT2)
Computational Chemistry, Mathematics, Models, Theoretical Chemistry
Basis sets
Causality, History of science, Mathematics, Models, Nobel Prize, Proteins, Quantum Mechanics, Science, Theoretical Chemistry
Dr. Joaquin Barroso's Blog 