🐰 Simple basis set parser for the ORCA quantum chemistry package
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Updated
Apr 6, 2017 - Shell
🐰 Simple basis set parser for the ORCA quantum chemistry package
Easily submit job inputs to different clusters.
Creating and submitting ORCA input; processing ORCA output.
Script to help start and use ORCA quantum chemistry software
Arch Linux PKGBUILD file for ORCA quantum mechanics software package
Automatic geometric optimization
xyz animation to molden.input
This article provides information to allow users to determine the energy required or released when a metal coordinates with a ligand/organic molecule
This article has been written to help chemists to run mechanistic studies in ORCA
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