ACS, AI, Artificial Intelligence, Collaborations, Computational Chemistry, DFT, Inorganic Chemistry, Models, Research, Theoretical Chemistry, Thermodynamics
Tag: Computational Chemistry
140 Posts
Computational Chemistry, Excited State, Photochemistry, Photosysnthesis, QChem, White papers
Restricted Active Space with Double Spin Flip (RAS-2SF) in Q-Chem 5.x
Coding, Computational Chemistry, Excited State, Fluorescence, Fluorescence Quenching, Photochemistry, Photosysnthesis, TD-DFT
UVeh-Vis v1.1 is now available
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
Dr. Joaquin Barroso's Blog 