Chemistry, Coding, Computational Chemistry, DFT, Patents, Talks, Theoretical Chemistry
Tag: DFT
15 Posts
Computational Chemistry, DFT, Fluorescence, Gaussian, Photochemistry, Spectroscopy, TD-DFT, White papers
Geometry Optimizations for Excited States
Computational Chemistry, DFT, Fluorescence, Gaussian, NBO, NBO, Spectroscopy, TD-DFT, Theoretical Chemistry, Tricks, White papers
Density Keyword in Excited State Calculations with Gaussian
Computational Chemistry, Internet, Spectroscopy, Theoretical Chemistry, Thermodynamics
NIST CCCBDB – Vibrational Scaling Factors & ThermoChem Data
Collaborations, Inorganic Chemistry, Sustainability, Talks
XXVIII International Materials Research Congress
Computational Chemistry, DFT, Internet, Models, Theoretical Chemistry, Tricks, White papers
Post Calculation Addition of Empirical Dispersion – Fixing interaction energies
Books, Computational Chemistry, DFT, Literature, Theoretical Chemistry
DFT Textbook in Spanish by Dr. José Cerón-Carrasco
Computational Chemistry, RMFQT, Talks
XVI Mexican Meeting on Phys.Chem.
Computational Chemistry, Mathematics, Theoretical Chemistry, Uncategorized
Dealing with Spin Contamination
Computational Chemistry, DFT, Gaussian, Theoretical Chemistry, White papers
Dr. Joaquin Barroso's Blog 