QM properties

This directory contains 1 workflows.

QM properties

Calculate molecular orbitals and vibrational frequencies. [Requires: Ligprep, Jaguar] [Keywords: quantum mechanics, semi-empirical, parameter flow […]

NodePit is the world’s first and most comprehensive search engine that allows you to easily search, find and install KNIME nodes and workflows. Explore the KNIME community’s variety.

Impressum / Imprint
Datenschutzerklärung / Privacy Policy

Thank you to the following supporters — without them, NodePit would not be possible!

Legal info: The KNIME® trademark is registered in the United States and Germany by the KNIME GmbH. NodePit is not affiliated with KNIME®.