
Tag: Excited States
8 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, DFT, Fluorescence, FMO, GaussView, NBO, NBO, Photochemistry, Quantum Mechanics, TD-DFT, Theoretical Chemistry, Visualization, White papers
Orbital Contributions to Excited States

Computational Chemistry, DFT, Fluorescence, Gaussian, Models, NBO, NBO, Spectroscopy, TD-DFT, Tricks, Visualization, White papers
Natural Transition Orbitals (NTOs) Gaussian

Alumni, Computational Chemistry, Photochemistry, Photosysnthesis, Quantum Mechanics, Science, Spectroscopy, TD-DFT, Teaching, Theoretical Chemistry, Thesis
Maru Sandoval M.Sc. – Our First Graduate Thesis
#RealTimeChem, #RealTimeChemCarnival, Computational Chemistry, Photochemistry, Photosysnthesis, Talks, TD-DFT, Theoretical Chemistry
Singlet Fission in the Fenna-Matthews-Olson Complex – A Talk

Articles, Computational Chemistry, Paper, TD-DFT, Theoretical Chemistry