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Inorganic Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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Over 3 years

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CASSCF simulations

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2 results in Keywords: CASSCF simulations

Physical Chemistry

Trans-cis Photoisomerization of a Biomimetic Cyclocurcumin Analogue Rationalized by Molecular Modelling

Raúl Losantos, Jeremy Pecourneau, Maxime Mourer, Stephane Parant, Andreea Pasc, Antonio Monari

Version 3 posted 24 May 2021

419

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Inorganic Chemistry

Electronic Structures of Bent, Formally Two-Coordinate Lanthanide(III) Cations

David Mills, Hannah Nicholas, Michele Vonci, Conrad Goodwin, Richard Winpenny, Eric J. L. McInnes, Nicholas Chilton, Siobhan Murphy, Song Loo Wei, Daniel Cassim

Version 1 posted 05 April 2019

801

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