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Inorganic Chemistry

Working Paper

Revisiting the Dependence of Cu K-Edge X-Ray Absorption Spectra on Oxidation State and Coordination Environment

Julian Rudolph, Christoph R. Jacob

Version 2 posted 03 July 2018

1,576

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Physical Chemistry

Working Paper

Many-Body Effects Determine the Local Hydration Structure of Cs+ in Solution

Debbie Zhuang, Marc Riera, Gregory K. Schenter, John Fulton, Paesani Lab

Version 1 posted 26 December 2018

636

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Physical Chemistry

Working Paper

X-ray Absorption Spectral Signature of Quantum Nuclei in Liquid Water

Zhaoru Sun, Lixin Zheng, Mohan Chen, Michael L. Klein, Paesani Lab, Xifan Wu

Version 1 posted 10 May 2018

949

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Physical Chemistry

Working Paper

Solvation and Speciation of Cobalt(II). A Theoretical X-Ray Absorption and RIXS Study

Basmah H. Allehyani, Walid I. Hassan, Saadullah Aziz, Rifaat H. Hilal, Oliver Kühn, Sergey I. Bokarev

Version 2 posted 21 January 2020

826

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Theoretical and Computational Chemistry

Working Paper

Transition Moments Beyond the Electric-Dipole Approximation: Visualization and Basis Set Requirements

Martin van Horn, Nanna List, Trond Saue

Version 1 posted 22 February 2023

269

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Theoretical and Computational Chemistry

Working Paper

Hydration Structure of Na+ and K+ Ions in Solution Predicted by Data-Driven Many-Body Potentials

Debbie Zhuang, Marc Riera, Ruihan Zhou, Alexander Deary, Francesco Paesani

Version 2 posted 28 October 2022

450

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Physical Chemistry

Working Paper

Simulating fluorine K-edge resonant inelastic X-ray scattering of sulfur hexafluoride and the effect of dissociative dynamics

Ambar Banerjee, Vinícius Vaz da Cruz, Victor Ekholm, Conny Såthe, Jan-Erik Rubensson, Nina Ignatova, Faris Gel’mukhanov, Michael Odelius

Version 1 posted 21 April 2023

222

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Physical Chemistry

Working Paper

Origin of potential and pH dependence of electrocatalytic rates

Si Liu, Luca D'Amario, Subhasis Shit, Stefan Mebs, Holger Dau

Version 1 posted 05 April 2024

480

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Theoretical and Computational Chemistry

Working Paper

Molecular-Orbital Framework of Two-Electron Processes: Application to Auger and Intermolecular Coulomb Decay.

Nayanthara Karippara Jayadev, Wojciech Skomorowski, Anna. I. Krylov

Version 1 posted 18 July 2023

231

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Organometallic Chemistry

Working Paper

X-ray Spectroscopy Characterization of Electronic Structure and Metal-Metal Bonding in Dicobalt Complexes

Arun Asundi, Roel Bienenmann, Daniel Broere, Ritimukta Sarangi

Version 1 posted 28 August 2024

223

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Refine Search

29 results in X-Ray Spectroscopy in Keywords: X-Ray Spectroscopy

Revisiting the Dependence of Cu K-Edge X-Ray Absorption Spectra on Oxidation State and Coordination Environment

Many-Body Effects Determine the Local Hydration Structure of Cs+ in Solution

X-ray Absorption Spectral Signature of Quantum Nuclei in Liquid Water

Solvation and Speciation of Cobalt(II). A Theoretical X-Ray Absorption and RIXS Study

Transition Moments Beyond the Electric-Dipole Approximation: Visualization and Basis Set Requirements

Hydration Structure of Na+ and K+ Ions in Solution Predicted by Data-Driven Many-Body Potentials

Simulating fluorine K-edge resonant inelastic X-ray scattering of sulfur hexafluoride and the effect of dissociative dynamics

Origin of potential and pH dependence of electrocatalytic rates

Molecular-Orbital Framework of Two-Electron Processes: Application to Auger and Intermolecular Coulomb Decay.

X-ray Spectroscopy Characterization of Electronic Structure and Metal-Metal Bonding in Dicobalt Complexes

29 results in Keywords: X-Ray Spectroscopy