Coding, Computational Chemistry, Excited State, Fluorescence, Fluorescence Quenching, Photochemistry, Photosysnthesis, TD-DFT
Category: Computational Chemistry
165 Posts
Computational Chemistry, Nobel Prize, Random thoughts
Predicting the ChemNobel 2023 – A C&EN conversation
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
Dr. Joaquin Barroso's Blog 