Coding, Computational Chemistry, Excited State, Fluorescence, Fluorescence Quenching, Photochemistry, Photosysnthesis, TD-DFT
Tag: Computational Chemistry
128 Posts
Chemistry, Collaborations, Computational Chemistry, Literature, Organic Chemistry, Publications, RSC, RSC Advances, Theoretical Chemistry
Azahomocubanes – A New Paper in RSC Advances
Coding, Computational Chemistry, Excited State, Fluorescence, Photochemistry, Spectroscopy, TD-DFT, Theoretical Chemistry
Plotting UV-Vis spectra from QChem 5.0 calculations (UVeh-Vis)
Computational Chemistry, Excited State, Gaussian, Models, Quantum Mechanics, Theoretical Chemistry, White papers
Is your Wavefunction stable?
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?
AI, Articles, Artificial Intelligence, Blogging, Coding, Computational Chemistry, Publications, Research
ChatGPT in Computational Chemistry
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