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Computational data for selection of PBE+50HFX functional for studying Ru-Cl/H-PR3 complexes

Robert K Szilagyi; Savio Poovathingal; Timothy K Minton

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Publication date:
November 5, 2018
DOI:
10.5281/zenodo.1478258

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10.5281/zenodo.1478258

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Keyword(s):
ruthenium complexes chloro/hydrido/phosphino ligands ab initio wave function basis set saturation limit density functional theory homogeneous complex speciation reactive-atom scattering
License (for files):
Creative Commons Attribution 4.0 International

Versions

Version 3.0 10.5281/zenodo.1478258 Nov 5, 2018
Version 2.0 10.5281/zenodo.1317590 Jul 20, 2018
Version 1.0 10.5281/zenodo.1203675 Mar 19, 2018
Cite all versions? You can cite all versions by using the DOI 10.5281/zenodo.1203674. This DOI represents all versions, and will always resolve to the latest one. Read more.

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