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Inorganic Chemistry

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Organic 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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Keywords

CASSCF optimizations

Authors

3 results in Keywords: CASSCF optimizations

Organic Chemistry

Multiconfigurational Static and Dynamic Calculations Explain Tricyclo[4,2,0,02,5]octa-3,7-diene Photochemistry

Jingbai Li, Steven Lopez

Version 1 posted 01 June 2020

442

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Inorganic Chemistry

Modeling Magnetic Interactions in High-Valent Trinuclear [Mn(IV)3O4]^4+ Complexes Through Highly Compressed Multi-Configurational Wave Functions

Giovanni Li Manni

Version 1 posted 29 April 2021

342

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Theoretical and Computational Chemistry

Potential Energy Curves of Molecular Nitrogen for Singly and Doubly Ionized States with Core and Valence Holes

Debarati Bhattacharya, K. R. Shamasundar, Agapi Emmanouilidou

Version 2 posted 27 August 2021

955

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