ACS, AI, Artificial Intelligence, Collaborations, Computational Chemistry, DFT, Inorganic Chemistry, Models, Research, Theoretical Chemistry, Thermodynamics
Tag: Computational and Theoretical Chemistry
56 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
Quantum Mechanics, Theoretical Chemistry, UNAM
The X-Mas ‘Chemistree’ that came from Mexico – Prof. Jaime Keller
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
Dr. Joaquin Barroso's Blog 