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Catalysis

Working Paper

Computational Insights into the Mechanism of the Selective Catalytic Reduction of NOx: Fe- Versus Cu-Doped Zeolite Catalysts

Julian Rudolph, Christoph R. Jacob

Version 2 posted 04 March 2019

1,175

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Theoretical and Computational Chemistry

Working Paper

Towards Theoretical Spectroscopy with Error Bars: Systematic Quantification of the Structural Sensitivity of Calculated Spectra

Tobias G. Bergmann, Michael O. Welzel, Christoph R. Jacob

Version 2 posted 13 December 2019

656

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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

308

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Materials Chemistry

Working Paper

Unsupervised Machine Learning for Unbiased Chemical Classification in X-ray Absorption Spectroscopy and X-ray Emission Spectroscopy

Samantha Tetef, Niranjan Govind, Gerald Seidler

Version 1 posted 21 June 2021

822

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Materials Chemistry

Working Paper

Prediction and Measurement of Resonant and Nonresonant Shake Effects in the Core-level X-ray Emission Spectra of 3d^0 Transition Metal Compounds

Charles Cardot, Joshua Kas, John Rehr, Jared Abramson, Gerald Seidler

Version 1 posted 28 August 2024

109

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Energy

Working Paper

Quantification of Enhanced Ion-Pairing in Nanoconfined Electrolytes Using Valence-to-Core X-ray Emission Spectroscopy

Diwash Dhakal, Timothy Fister, Gerald Seidler

Version 1 posted 27 December 2023

131

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Physical Chemistry

Working Paper

On the Relationship Between Hydrogen-Bonding Motifs and the 1b1 Splitting in the X-ray Emission Spectrum of Liquid Water

Vinicius Cruzeiro, Andrew Wildman, Xiasong Li, Paesani Lab

Version 1 posted 23 December 2020

354

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Analytical Chemistry

Working Paper

Laboratory X-ray Emission Spectrometer for Phosphorus Kα and Kβ Study of Air-Sensitive Samples

Gerald Seidler, Jared Abramson, Brandi Cossairt, Alexandra Velian, Ricardo Rivera-Maldonado, William Holden

Version 1 posted 27 January 2023

321

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Biological and Medicinal Chemistry

Working Paper

X-ray Emission Spectroscopy of Single Protein Crystals Yields Insights into Heme Enzyme Intermediates

Sahand Emamian, Kendra A. Ireland, Vatsal Purohit, Kirklin L. McWhorter, Olga Maximova, Winter Allen, Scott Jensen, Diego Casa, Yulia Pushkar, Katherine Davis

Version 2 posted 05 October 2022

343

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Refine Search

9 results in X-ray emission spectroscopy in Keywords: X-ray emission spectroscopy

Computational Insights into the Mechanism of the Selective Catalytic Reduction of NOx: Fe- Versus Cu-Doped Zeolite Catalysts

Towards Theoretical Spectroscopy with Error Bars: Systematic Quantification of the Structural Sensitivity of Calculated Spectra

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

Unsupervised Machine Learning for Unbiased Chemical Classification in X-ray Absorption Spectroscopy and X-ray Emission Spectroscopy

Prediction and Measurement of Resonant and Nonresonant Shake Effects in the Core-level X-ray Emission Spectra of 3d^0 Transition Metal Compounds

Quantification of Enhanced Ion-Pairing in Nanoconfined Electrolytes Using Valence-to-Core X-ray Emission Spectroscopy

On the Relationship Between Hydrogen-Bonding Motifs and the 1b1 Splitting in the X-ray Emission Spectrum of Liquid Water

Laboratory X-ray Emission Spectrometer for Phosphorus Kα and Kβ Study of Air-Sensitive Samples

X-ray Emission Spectroscopy of Single Protein Crystals Yields Insights into Heme Enzyme Intermediates

9 results in Keywords: X-ray emission spectroscopy