QC-Lab

By Baudilio Tejerina

Northwestern University

Quantum Chemsitry Lab: Ab Initio and DFT molecular and electronic structure calculations of small molecules

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Version 3.8 - published on 25 Oct 2022

doi:10.21981/NT2F-D357 cite this

Open source: license | download

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2369 Saving simulations
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2244 New GAMESS website
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1933 How to save my simulations after each geometry optimizations ?
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1929 How to visualize my structure ?
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1001 acetic acid dimer
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801 Saving/Exporting Data from QC-Lab to my computer?
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800 WHAT IS THE INPUT FORMAT FOR QC LAB?
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155 Why Gamess is not accepting user defined gaussian basis?
Asked by Dr. Dhananjay Kumar Jha Closed 1
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