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Theoretical and Computational Chemistry

Working Paper

Coupled-Cluster Treatment of Complex Open-Shell Systems: The Case of Single-Molecule Magnets

Maristella Alessio, Garrette Pauley Paran, Cansu Utku, Andreas Grueneis, Thomas-C. Jagau

Version 1 posted 15 March 2024

310

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Organic Chemistry

Working Paper

Photocatalyzed Transition-Metal-Free Oxidative Cross-Coupling Reactions of Tetraorganoborates

Arif Music, Andreas N. Baumann, Florian Boser, Nicolas Müller, Florian Matz, Thomas C. Jagau, Dorian Didier

Version 1 posted 25 September 2020

625

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Theoretical and Computational Chemistry

Working Paper

The Quest to Uncover the Nature of Benzonitrile Anion

Sahil Gulania, Thomas-C. Jagau, Andrei Sanov, Anna I. Krylov

Version 1 posted 06 December 2019

414

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Theoretical and Computational Chemistry

Working Paper

The Auger spectrum of benzene

Nayanthara Karippara Jayadev, Anthuan Ferino-Perez, Florian Matz, Anna I. Krylov, Thomas-C Jagau

Version 1 posted 02 January 2023

320

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Theoretical and Computational Chemistry

Working Paper

In Search of Molecular Ions for Optical Cycling: A Difficult Road

Maxim Ivanov, Thomas-C. Jagau, Guo-Zhu Zhu, Eric R. Hudson, Anna Krylov

Version 1 posted 02 June 2020

719

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Organometallic Chemistry

Working Paper

Computational Insights into Intramolecular Cross-Coupling of Quaternary Borate Salts

Florian Matz, Arif Music, Dorian Didier, Thomas C. Jagau

Version 2 posted 13 April 2021

384

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Theoretical and Computational Chemistry

Working Paper

EOM-CC Guide for Fock-Space Travel: The C2 Edition

Sahil Gulania, Thomas-C. Jagau, Anna I. Krylov

Version 1 posted 23 November 2018

836

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Theoretical and Computational Chemistry

Working Paper

Resonant Auger Decay in Benzene

Nayanthara Karippara Jayadev, Thomas-C Jagau, Anna I. Krylov

Version 1 posted 30 October 2024

185

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Refine Search

8 results in Thomas-C Jagau in Authors: Thomas-C Jagau

Coupled-Cluster Treatment of Complex Open-Shell Systems: The Case of Single-Molecule Magnets

Photocatalyzed Transition-Metal-Free Oxidative Cross-Coupling Reactions of Tetraorganoborates

The Quest to Uncover the Nature of Benzonitrile Anion

The Auger spectrum of benzene

In Search of Molecular Ions for Optical Cycling: A Difficult Road

Computational Insights into Intramolecular Cross-Coupling of Quaternary Borate Salts

EOM-CC Guide for Fock-Space Travel: The C2 Edition

Resonant Auger Decay in Benzene

8 results in Authors: Thomas-C Jagau