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Spin State Energetics

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3 results in Keywords: Spin State Energetics

Theoretical and Computational Chemistry

Spin State Ordering in Metal-Based Compounds Using the Localized Active Space Self-Consistent Field Method

Riddhish Pandharkar, Matthew R. Hermes, Christopher J. Cramer, Laura Gagliardi

Version 1 posted 22 July 2019

603

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Inorganic Chemistry

Multireference Ground and Excited State Electronic Structures of Free- versus Iron Porphyrin-Carbenes

Gautam Stroscio, Martin Srnec, Ryan Hadt

Version 2 posted 26 December 2019

761

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Organometallic Chemistry

Isomerization Reactions in Anionic Mesoionic Carbene-Borates and Control of Properties and Reactivities in the resulting CoII Complexes through Agostic Interactions

Biprajit Sarkar, Jessica Stubbe, Nicolás I. Neuman, Ross McLellan, Michael G. Sommer, Maite Nößler, Julia Beerhues, Robert Mulvey

Version 1 posted 13 August 2020

319

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