Computational Chemistry, DFT, Nature, NBO, Organic Chemistry, Paper, Reaction Mechanisms
Category: NBO
17 Posts
Chemistry, Computational Chemistry, Inorganic Chemistry, NBO, Paper, Publications, Reaction Mechanisms
Aurides Chemistry – New Paper in Organometallics
Computational Chemistry, DFT, Fluorescence, Gaussian, NBO, NBO, Spectroscopy, TD-DFT, Theoretical Chemistry, Tricks, White papers
Density Keyword in Excited State Calculations with Gaussian
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
Computational Chemistry, Drug Delivery, Molecular Dynamics, NBO, Photosysnthesis, Talks
Physical Chemistry Meeting and CCIQS Symposium
ACS, Articles, calixarenes, Computational Chemistry, DFT, JACS, NBO, Paper, Research
New paper in JACS
calixarenes, Computational Chemistry, CTC, DFT, Drug Delivery, Interns, Molecular Dynamics, NBO, Paper
Dr. Joaquin Barroso's Blog 