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Inorganic Chemistry

Working Paper

Detection and Characterization of Mononuclear Pd(I) Complexes

Jia Luo, Nigam P. Rath, Liviu M. Mirica

Version 1 posted 15 June 2020

731

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Theoretical and Computational Chemistry

Working Paper

Generalized Single Excitation Configuration Interaction: An Investigation into the Impact of the Inclusion of Non-Orthogonality on the Calculation of Core-Excited States

Katherine J. Oosterbaan, Alec F. White, Diptarka Hait, Martin Head-Gordon

Version 1 posted 13 December 2019

466

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Physical Chemistry

Working Paper

The Nature of S-N Bonding in Sulfonamides and Related Compounds: Insights into π-Bonding Contributions from Sulfur K-Edge XAS

Tulin Okbinoglu, Pierre Kennepohl

Version 1 posted 10 November 2020

710

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1

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Catalysis

Review

Bridging the Gap between the X-ray Absorption Spectroscopy and the Computational Catalysis Communities in Heterogeneous Catalysis: A Perspective on the Current and Future Research Directions

Rachita Rana, FERNANDO D. VILA, Ambarish Kulkarni, Simon R. Bare

Version 1 posted 14 September 2022

410

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Physical Chemistry

Working Paper

Informed Chemical Classification of Organophosphorus Compounds via Unsupervised Machine Learning of X-ray Absorption Spectroscopy and X-ray Emission Spectroscopy

Samantha Tetef, Vikram Kashyap, Alexandra Velian, Niranjan Govind, Gerald Seidler

Version 1 posted 23 February 2022

318

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Catalysis

Working Paper

Surface Redox Dynamics in Gold-Zinc CO2 Hydrogenation Catalysts Amplified by Transient X-Ray Absorption Spectroscopy

Scott Docherty, Olga Safonova, Christophe Copéret

Version 1 posted 05 April 2023

293

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Inorganic Chemistry

Working Paper

Reversible Modulation of the Electronic and Spatial Environment around Ni(0) Centers Bearing Multifunctional Carbene Ligands with Triarylaluminum

Yoichi Hoshimoto, Yasuhiro Yamauchi, Yutaka Mondori, Yuta Uetake, Yasuo Takeichi, Takahiro Kawakita, Hidehiro Sakurai, Sensuke Ogoshi

Version 1 posted 18 May 2023

310

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Catalysis

Working Paper

Water-assisted generation of catalytic interface: The case of interfacial Pt-FeOx(OH)y sites active in preferential carbon monoxide oxidation

Ilia I. Sadykov, Dennis Palagin, Frank Krumeich, Igor V. Plokhikh, Jeroen A. van Bokhoven, Maarten Nachtegaal, Olga V. Safonova

Version 1 posted 05 September 2023

176

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Physical Chemistry

Working Paper

Multi-edge X-ray Absorption Spectroscopic Evidence for Sulphur-based Redox in [4Fe-4S] Molecular Clusters

Robert Szilagyi

Version 1 posted 08 July 2024

177

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Analytical Chemistry

Working Paper

Tracking Coordination Environment and Reaction Intermediates in Homo- and Heterogeneous Epoxidation Catalysts via Ti L2,3-edge NEXAFS

Lukas Lätsch, Sergey A. Guda, Vladyslav Romankov, Christina Wartmann, Jörg-M. Neudörfl, Jan Dreiser, Albrecht Berkessel, Alexander A. Guda, Christophe Copéret

Version 2 posted 16 February 2024

599

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50 results in x-ray absorption spectroscopy in Keywords: x-ray absorption spectroscopy

Detection and Characterization of Mononuclear Pd(I) Complexes

Generalized Single Excitation Configuration Interaction: An Investigation into the Impact of the Inclusion of Non-Orthogonality on the Calculation of Core-Excited States

The Nature of S-N Bonding in Sulfonamides and Related Compounds: Insights into π-Bonding Contributions from Sulfur K-Edge XAS

Bridging the Gap between the X-ray Absorption Spectroscopy and the Computational Catalysis Communities in Heterogeneous Catalysis: A Perspective on the Current and Future Research Directions

Informed Chemical Classification of Organophosphorus Compounds via Unsupervised Machine Learning of X-ray Absorption Spectroscopy and X-ray Emission Spectroscopy

Surface Redox Dynamics in Gold-Zinc CO2 Hydrogenation Catalysts Amplified by Transient X-Ray Absorption Spectroscopy

Reversible Modulation of the Electronic and Spatial Environment around Ni(0) Centers Bearing Multifunctional Carbene Ligands with Triarylaluminum

Water-assisted generation of catalytic interface: The case of interfacial Pt-FeOx(OH)y sites active in preferential carbon monoxide oxidation

Multi-edge X-ray Absorption Spectroscopic Evidence for Sulphur-based Redox in [4Fe-4S] Molecular Clusters

Tracking Coordination Environment and Reaction Intermediates in Homo- and Heterogeneous Epoxidation Catalysts via Ti L2,3-edge NEXAFS

50 results in Keywords: x-ray absorption spectroscopy