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Physical Chemistry

Working Paper

On the Choice of Reference Orbitals for Linear-Response Calculations of Solution-Phase K-Edge X-Ray Absorption Spectra

Kevin Carter-Fenk, Martin Head-Gordon

Version 1 posted 02 September 2022

198

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1

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Theoretical and Computational Chemistry

Working Paper

Appraisal of dispersion damping functions for the effective fragment potential method

Kevin Carter-Fenk, John Herbert

Version 1 posted 25 January 2022

147

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Materials Chemistry

Working Paper

Battery metals recycling by flash Joule heating

Weiyin Chen, Ksenia Bets, Rodrigo Salvatierra, Guanhui Gao, Chi Choi, Xin Wang, John Li, Carter Kittrell, Nghi La, Jinhang Chen, Kevin Wyss, Lucas Eddy, Phelecia Scotland, Bowen Li, Bing Deng, Mason Tomson, Yimo Han, Boris Yakobson, James Tour

Version 1 posted 24 March 2023

733

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1

Citations

Physical Chemistry

Working Paper

Femtosecond core-level spectroscopy reveals involvement of triplet states in the gas-phase photodissociation of Fe(CO)5

Jan Tross, Juan Arias-Martinez, Kevin Carter-Fenk, Neil Cole-Filipiak, Paul Schrader, Laura McCaslin, Martin Head-Gordon, Krupa Ramasesha

Version 4 posted 05 June 2024

836

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Energy

Working Paper

Synthesis of clean hydrogen gas from waste plastic at zero net cost

Kevin Wyss, Karla Silva, Ksenia Bets, Wala Algozeeb, Carter Kittrell, Carolyn Teng, ChiHun Choi, Weiyin Chen, Jacob Beckham, Boris Yakobson, James Tour

Version 1 posted 08 June 2023

1,502

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Physical Chemistry

Working Paper

Natural Charge-Transfer Analysis: Eliminating Spurious Charge-Transfer States in Time-Dependent Density Functional Theory via Diabatization, with Application to Projection-Based Embedding

Kevin Carter-Fenk, Christopher J. Mundy, John Herbert

Version 1 posted 28 April 2021

304

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Physical Chemistry

Working Paper

Infrared Hide-and-Seek: Vibrational Excitons Conceal Surfactants at the Air/Water Interface

Kimberly A. Carter-Fenk, Kevin Carter-Fenk, Michelle E Fiamingo, Heather Allen, John M. Herbert

Version 2 posted 01 March 2021

700

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Inorganic Chemistry

Working Paper

Application of In Situ X-ray Absorption Spectroscopy to Study Dilute Chromium Ions in a Molten Chloride Salt

Jisue Moon, Carter Abney, Dmitriy Dolzhnikov, James M. Kurley, Kevin A. Beyer, Joshua Wright, Sheng Dai, Richard T. Mayes, Stephen S. Raiman

Version 1 posted 15 October 2019

643

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1

Citations

Organic Chemistry

Working Paper

Reinterpreting π-Stacking

Kevin Carter-Fenk, John Herbert

Version 1 posted 07 October 2020

2,486

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Physical Chemistry

Working Paper

Electrostatics, Charge Transfer, and the Nature of the Halide-Water Hydrogen Bond

John Herbert, Kevin Carter-Fenk

Version 1 posted 22 December 2020

341

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Refine Search

11 results in Kevin Carter in Authors: Kevin Carter

On the Choice of Reference Orbitals for Linear-Response Calculations of Solution-Phase K-Edge X-Ray Absorption Spectra

Appraisal of dispersion damping functions for the effective fragment potential method

Battery metals recycling by flash Joule heating

Femtosecond core-level spectroscopy reveals involvement of triplet states in the gas-phase photodissociation of Fe(CO)5

Synthesis of clean hydrogen gas from waste plastic at zero net cost

Natural Charge-Transfer Analysis: Eliminating Spurious Charge-Transfer States in Time-Dependent Density Functional Theory via Diabatization, with Application to Projection-Based Embedding

Infrared Hide-and-Seek: Vibrational Excitons Conceal Surfactants at the Air/Water Interface

Application of In Situ X-ray Absorption Spectroscopy to Study Dilute Chromium Ions in a Molten Chloride Salt

Reinterpreting π-Stacking

Electrostatics, Charge Transfer, and the Nature of the Halide-Water Hydrogen Bond

11 results in Authors: Kevin Carter