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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

1,142

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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

335

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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

788

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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

271

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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

301

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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

80

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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

256

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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

639

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Refine Search

8 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

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

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

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

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

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

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

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

8 results in Keywords: X-ray emission spectroscopy