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Biological and Medicinal Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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multi-reference ab initio

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2 results in Keywords: multi-reference ab initio

Biological and Medicinal Chemistry

DpgC-Catalyzed Peroxidation of DPA-CoA: Insights onto the Spin-Forbidden Transition and Charge Transfer Mechanisms

Pablo Ortega, Alexandre Zanchet, Cristina Sanz-Sanz, Susana Gómez-Carrasco, Lola González-Sánchez, Pablo G. Jambrina

Version 1 posted 30 April 2020

386

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Theoretical and Computational Chemistry

Equation-of-Motion Coupled-Cluster Method with Double Electron-Attaching Operators: Theory, Implementation, and Benchmarks

Sahil Gulania, Eirik Fadum Kjønstad, John F. Stanton, Henrik Koch, Anna Krylov

Version 2 posted 28 December 2020

507

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