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Theoretical and Computational Chemistry

Working Paper

Deriving the Vibronic Coupling Constants of the Cyclopentadienyl Radical with Density Functional Theory and G0W0

Zi Cheng Wong, Liviu Ungur

Version 1 posted 24 July 2020

433

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Materials Science

Review

On the definition of chirality and enantioselective fields

Hiroshi Yamamoto, Jun-ichiro Kishine, Hiroaki Kusunose

Version 2 posted 18 August 2022

327

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Inorganic Chemistry

Working Paper

Pressure-Induced Jahn-Teller Switch in the Homoleptic Hybrid Perovskite [(CH3)2NH2]Cu(HCOO)3: Orbital Reordering by Unconventional Degrees of Freedom

Rebecca Scatena, Michał Andrzejewski, Roger Johnson, Piero Macchi

Version 1 posted 23 April 2021

191

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Catalysis

Working Paper

Activation by oxidation and ligand exchange in a molecular manganese vanadium oxide water oxidation catalyst

Gustavo Cardenas, Ivan Trentin, Ludwig Schwiedrzik, David Hernández-Castillo, Grace A. Lowe, Julian Kund, Christine Kranz, Sarah Klingler, Robert Stach, Boris Mizaikoff, Philipp Marquetand, Juan J. Nogueira, Carsten Streb, Leticia González

Version 1 posted 18 June 2021

361

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Physical Chemistry

Working Paper

The Interplay of Open-Shell Spin-Coupling and Jahn-Teller Distortion in Benzene Radical Cation Probed by X-ray Spectroscopy

Marta L. Vidal, Michael Epshtein, Valeriu Scutelnic, Zheyue Yang, Tian Xue, Stephen Leone, Anna I. Krylov, Sonia Coriani

Version 2 posted 25 September 2020

688

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Physical Chemistry

Working Paper

Table-Top X-ray Spectroscopy of Benzene Radical Cation

Michael Epshtein, Valeriu Scutelnic, Zheyue Yang, Tian Xue, Marta L. Vidal, Anna Krylov, Sonia Coriani, Stephen Leone

Version 1 posted 13 August 2020

558

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Theoretical and Computational Chemistry

Working Paper

Description of Two-particle One-hole Electronic Resonances using Orbital Stabilization Methods

Mushir Thodika, Nathan Mackouse, Spiridoula Matsika

Version 1 posted 25 September 2020

368

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Theoretical and Computational Chemistry

Working Paper

On the Nature of the Out-Of-Plane Distortions in Subporphyrins

J Haripriya, A Anjana, J Harikrishnan, Pattath D. Pancharatna

Version 1 posted 14 August 2024

31

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Refine Search

8 results in Jahn-Teller Effect in Keywords: Jahn-Teller Effect

Deriving the Vibronic Coupling Constants of the Cyclopentadienyl Radical with Density Functional Theory and G0W0

On the definition of chirality and enantioselective fields

Pressure-Induced Jahn-Teller Switch in the Homoleptic Hybrid Perovskite [(CH3)2NH2]Cu(HCOO)3: Orbital Reordering by Unconventional Degrees of Freedom

Activation by oxidation and ligand exchange in a molecular manganese vanadium oxide water oxidation catalyst

The Interplay of Open-Shell Spin-Coupling and Jahn-Teller Distortion in Benzene Radical Cation Probed by X-ray Spectroscopy

Table-Top X-ray Spectroscopy of Benzene Radical Cation

Description of Two-particle One-hole Electronic Resonances using Orbital Stabilization Methods

On the Nature of the Out-Of-Plane Distortions in Subporphyrins

8 results in Keywords: Jahn-Teller Effect