Nandi Lab LogoInstitution Logo

Resources

Here are some useful resources for computational chemistry.

Free Software

ORCA (Neese Group)Link
Bond Dissociation Energy CalculatorLink
Molecular Visualizer for Small MoleculesLink
Chimera: Molecular Visualizer for BiomoleculesLink
Energy ConverterLink
POLYRATE: Program for Tunneling and Rate Constant CalculationsLink
EyringPy: Python Toolkit for Reaction Rate CalculationsLink

Practical Computational Chemistry

Lectures by Prof. David SherrillLink
YouTube Videos of SherrillLink
Coursera Course on DFTLink

Computational Chemistry Blogs & News

ChemistryWorldLink
Rowan BlogpostLink
ChemistryViewsLink
Computational Organic Chemistry BlogsLink

Miscellaneous

Organic Chemistry Notes by Eugene KwanLink
Visual Mathematics by 3Blue1BrownLink
Python for ChemistryLink