ab initio simulations with ORCA

By nicolas onofrio1, Alejandro Strachan1

1. Purdue University

ab initio and density functional theory calculations dedicated to molecular systems

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Version 1.3.3 - published on 22 Jan 2018

doi:10.4231/D32R3P00R cite this

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Versions

Version Released DOI Handle Published
1.3.3 22 Jan 2018 doi:10.4231/D32R3P00R yes
1.3.2 14 Nov 2016 doi:10.4231/D3VT1GR06 no
1.3.1 06 Oct 2016 doi:10.4231/D3ZS2KF1V no
1.3 23 Sep 2015 doi:10.4231/D3RN30845 no
1.2 14 Sep 2015 doi:10.4231/D3DB7VR3M no
1.1 01 Sep 2015 doi:10.4231/D3Z892G41 no
1.0 27 Aug 2015 doi:10.4231/D3M03XZ31 no