Caricato Research Group
Theoretical and computational chemistry group, with a focus on molecular quantum mechanics (QM) and electronic structure theory.
University of Kansas
Pinned Repositories
.github
Group Description for Public display
CHEM-Course-Code
Programs written by students in the Spring 2015 iteration of CHEM 850: Advanced Quantum Chemistry at the University of Kansas
HartreeFock
Simple Restricted Hartree Fock collaborative project
Multi-State-Extrapolation
Program to extrapolate UV/Vis spectra from QM/QM excited state calculations
Stilde-Interpretation-and-Visualization
A program to sort and analyze large amounts of specific rotation analysis data. Then, using PyMol to superimpose vectors from the sorted data set onto molecules
Caricato Research Group's Repositories
caricato-ku/Stilde-Interpretation-and-Visualization
A program to sort and analyze large amounts of specific rotation analysis data. Then, using PyMol to superimpose vectors from the sorted data set onto molecules
caricato-ku/.github
Group Description for Public display
caricato-ku/CHEM-Course-Code
Programs written by students in the Spring 2015 iteration of CHEM 850: Advanced Quantum Chemistry at the University of Kansas
caricato-ku/HartreeFock
Simple Restricted Hartree Fock collaborative project
caricato-ku/Multi-State-Extrapolation
Program to extrapolate UV/Vis spectra from QM/QM excited state calculations