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spin states

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5 results in Keywords: spin states

Spin-Resolved Charge Displacement Analysis as Intuitive Tool for the Evaluation of cPCET and HAT Scenarios

Lorenzo D'Amore, Leonardo Belpassi, Johannes E. M. N. Klein, Marcel Swart

Version 2 posted 01 September 2020

530

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Inorganic Chemistry

Ligand-Mediated Spin State Changes in a Cobalt-Dipyrrin-Bisphenol Complex

Nicolaas P. van Leest, Wowa Stroek, Maxime A. Siegler, Jarl Ivar van der Vlugt, Bas de Bruin

Version 1 posted 03 July 2020

388

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Theoretical and Computational Chemistry

Spin-State Dependence of Exchange-Correlation Holes

Julia Brüggemann, Christoph R. Jacob

Version 3 posted 11 June 2020

1,104

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Theoretical and Computational Chemistry

Density Functional Approximations for Consistent Spin and Oxidation States of Oxoiron Complexes

Filip Vlahovic, Maja Gruden, Stepan Stepanović, Marcel Swart

Version 1 posted 22 July 2019

845

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Theoretical and Computational Chemistry

Approaching the Complete Basis Set Limit for Transition Metal Spin–State Energetics

Gabriela Drabik, Mariusz Radoń

Version 1 posted 24 January 2024

88

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