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Single Point Lab
A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent intera ... - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/C7CP04913G
Single Point Lab
Setup
How can I calculate the Transition state on gaussian and construct the energy profile ?? | ResearchGate
Gaussian – UW-Madison Department of Chemistry HPC Center – UW–Madison