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frontier molecular orbitals

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2 results in Keywords: frontier molecular orbitals

Inorganic Chemistry

Photogenerated Ni(I)–Bipyridine Halide Complexes: Structure-Function Relationships for Competitive C(sp2)–Cl Oxidative Addition and Dimerization Reactivity Pathways

David Cagan, Daniel Bím, Brendon McNicholas, Nathanael Kazmierczak, Paul Oyala, Ryan Hadt

Version 1 posted 21 March 2023

251

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Inorganic Chemistry

Electronic structures of nickel(II)-bis(indanyloxazoline)-dihalide catalysts: Understanding ligand field contributions that promote C(sp2)–C(sp3) cross-coupling

Brendon McNicholas, Z. Jaron Tong, Daniel Bím, Raymond Turro, Nathanael Kazmierczak, Jakub Chalupský, Sarah Reisman, Ryan Hadt

Version 1 posted 21 June 2023

546

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