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Organic Chemistry

(1)

Theoretical and Computational Chemistry

(3)

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Working Paper

(3)

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Over 3 years

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Keywords

CASSCF methods

Authors

3 results in Keywords: CASSCF methods

Theoretical and Computational Chemistry

First Principle Investigations of Long-range Magnetic Exchange Interactions via Polyacene Coupler

Prabhleen Kaur, Md. Ehesan Ali

Version 2 posted 05 January 2021

744

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Theoretical and Computational Chemistry

An Algorithm to Correct for the CASSCF Active Space in Multiscale QM/MM Calculations Based on Geometry Ensembles

Gustavo Cárdenas, Juan Jose Nogueira

Version 1 posted 04 September 2020

743

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Organic Chemistry

Multiconfigurational Dynamics Explain Photochemical Reactivity and Torquoselectivity Towards Fluorinated Polyacetylenes

Jordan Cox, Steven Lopez

Version 2 posted 01 June 2020

616

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