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Inorganic Chemistry

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Theoretical and Computational Chemistry

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Working Paper

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Over 3 years

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CASSCF wave functions

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2 results in Keywords: CASSCF wave functions

Inorganic Chemistry

Ab-Initio Study of Circular Dichroism and Circularly Polarized Luminescence of Spin-allowed and Spin-forbidden Transitions: From Organic Ketones to Lanthanide Complexes

Frédéric Gendron, Barry Moore II, Olivier Cador, Fabrice Pointillart, Jochen Autschbach, Boris Le Guennic

Version 1 posted 19 March 2019

665

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Theoretical and Computational Chemistry

On the Role of Valence and Semi-Core Electron Correlation on Spin-Gaps in Fe(II)-Porphyrins

Giovanni Li Manni, Daniel Kats, David Tew, Ali Alavi

Version 1 posted 15 October 2018

861

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