Computational Chemistry, DFT, Nature, NBO, Organic Chemistry, Paper, Reaction Mechanisms
Tag: NBO
17 Posts
Chemistry, Computational Chemistry, Inorganic Chemistry, NBO, Paper, Publications, Reaction Mechanisms
Aurides Chemistry – New Paper in Organometallics
Computational Chemistry, DFT, Fluorescence, FMO, GaussView, NBO, NBO, Photochemistry, Quantum Mechanics, TD-DFT, Theoretical Chemistry, Visualization, White papers
Orbital Contributions to Excited States
Computational Chemistry, DFT, Fluorescence, Gaussian, Models, NBO, NBO, Spectroscopy, TD-DFT, Tricks, Visualization, White papers
Natural Transition Orbitals (NTOs) Gaussian
ACS, Computational Chemistry, Crystallography, Drug Delivery, Inorganic Chemistry, NBO, Paper
A new paper on the Weak Link Approach
Coding, Computational Chemistry, DFT, Fukui, Gaussian, NBO, NBO, White papers
Python scripts for calculating Fukui Indexes
ACS, Articles, Collaborations, Computational Chemistry
Tribology – New paper in JPC A
Alumni, calixarenes, CCIQS, Computational Chemistry, Drug Delivery, Thesis
A new chemist is graduated
ACS, Articles, Computational Chemistry, DFT, Drug Delivery, JCTC, Molecular Dynamics, NBO, Paper, Theoretical Chemistry
New paper in Journal of Chemical Theory and Computation
Alumni, Computational Chemistry, NBO, Teaching, Thesis
Dr. Joaquin Barroso's Blog 