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Organometallic Chemistry

Working Paper

η^2 bonded Nickel(0) thiophene π-complexes - identifying the missing link in catalyst transfer polymerization

Weiying He, Brian O. Patrick, Pierre Kennepohl

Version 2 posted 03 May 2018

961

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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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Physical Chemistry

Working Paper

Deciphering the oxygen absorption pre-edge: a caveat on its application for probing oxygen redox reactions in batteries

Subhayan Roychoudhury, Ruimin Qiao, Zengqing Zhuo, Qinghao Li, Yingchun Lyu, Jung-Hyun Kim, Jun Liu, Eungje Lee, Bryant J. Polzin, Jinghua Guo, Shishen Yan, Yongsheng Hu, Hong Li, David Prendergast, Wanli Yang

Version 3 posted 29 May 2020

1,591

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1

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Theoretical and Computational Chemistry

Working Paper

Random Forest Machine Learning Models for Interpretable X-Ray Absorption Near-Edge Structure Spectrum-Property Relationships

Steven Torrisi, Matthew Carbone, Brian Rohr, Joseph H. Montoya, Yang Ha, Junko Yano, Santosh Suram, Linda Hung

Version 1 posted 20 February 2020

758

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Inorganic Chemistry

Working Paper

Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex

Natalie Rice, Ivan Popov, Dominic Russo, John Bacsa, Enrique Batista, Ping Yang, Joshua Telser, Henry La Pierre

Version 1 posted 24 June 2019

700

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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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Materials Science

Working Paper

Controlled Experiments and Optimized Theory of Absorption Spectra of Li Metal and Salts

Subhayan Roychoudhury, Zengqing Zhuo, Ruimin Qiao, Liwen Wan, Yufeng Liang, Feng Pan, Yi-de Chuang, David Prendergast, Wanli Yang

Version 2 posted 18 June 2021

560

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Materials Chemistry

Working Paper

In-situ analysis of corrosion products in molten salt: concurrent X-ray absorption and electrochemistry reveal both ionic and metallic species

Sean Fayfar, Guiqiu Zheng, Dave Sprouster, Matthew Marshall, Eli Stavitski, Denis Leshchev, Boris Khaykovich

Version 1 posted 11 October 2022

411

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1

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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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50 results in X-ray Absorption Spectroscopy in Keywords: X-ray Absorption Spectroscopy

η^2 bonded Nickel(0) thiophene π-complexes - identifying the missing link in catalyst transfer polymerization

Detection and Characterization of Mononuclear Pd(I) Complexes

Deciphering the oxygen absorption pre-edge: a caveat on its application for probing oxygen redox reactions in batteries

Random Forest Machine Learning Models for Interpretable X-Ray Absorption Near-Edge Structure Spectrum-Property Relationships

Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex

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

Controlled Experiments and Optimized Theory of Absorption Spectra of Li Metal and Salts

In-situ analysis of corrosion products in molten salt: concurrent X-ray absorption and electrochemistry reveal both ionic and metallic species

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

50 results in Keywords: X-ray Absorption Spectroscopy