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spin state

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3 results in Keywords: spin state

Theoretical and Computational Chemistry

Active Learning Assisted MCCI to Target Spin States

Koushik Seth, Debashree Ghosh

Version 2 posted 13 September 2022

216

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1

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Inorganic Chemistry

Spin states, bonding and magnetism in mixed valence iron(0)–iron(II) complexes

Daniel Kim, Daniel Wilson, Majed Fataftah, Brandon Mercado, Patrick Holland

Version 2 posted 11 November 2021

645

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DFT Studies of Interaction between Methane and Single Metal Atoms: Co, Rh, Ir, Ni, Pd, and Pt

Christian Mason, Lichang Wang

Version 1 posted 03 July 2023

134

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