Coding, Computational Chemistry, Excited State, Fluorescence, Photochemistry, Spectroscopy, TD-DFT, Theoretical Chemistry
Tag: Theoretical Chemistry
101 Posts
Computational Chemistry, Excited State, Gaussian, Models, Quantum Mechanics, Theoretical Chemistry, White papers
Is your Wavefunction stable?
Mathematics, Philosophy, Quantum Mechanics, Random thoughts, Theoretical Chemistry
The contradictory “complexity” of the wave function
Artificial Intelligence, Coding, Computational Chemistry, QSAR, Theoretical Chemistry
Calculating chemical descriptors with Mordred
Dr. Gustavo Mondragón PhD – A new graduate from the lab!
Chemistry, Computational Chemistry, Mathematics, Models, Philosophy, Quantum Mechanics, Theoretical Chemistry
What do we talk about when we talk about Empty Orbitals?
Chemistry, Computational Chemistry, DFT, Excited State, Fukui, Gaussian, NBO, Photochemistry, TD-DFT, Theoretical Chemistry, Tricks, White papers
Population Analysis in the Excited State with Gaussian
Computational Chemistry, JCTC, Molecular Dynamics, Paper, Photochemistry, Photosysnthesis, Research, TD-DFT
Photosynthesis in the near-IR. A New paper in JCTC
Computational Chemistry, Gaussian, Models, Theoretical Chemistry, White papers
Percentage of Molecular Orbital Composition – G09,G16
Chemistry, Computational Chemistry, Gold, Inorganic Chemistry, Paper
Dr. Joaquin Barroso's Blog 