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Materials Chemistry

Working Paper

Low-Frequency Vibrational Spectroscopy: A Powerful Tool for Revealing Crystalline Magnetic Structures

Zihui Song, Xudong Liu, Anish Ochani, Suling Shen, Qiqi Li, Yiwen Sun, Michael Ruggiero

Version 2 posted 15 July 2021

385

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Theoretical and Computational Chemistry

Working Paper

Spin Purification in Full-CI Quantum Monte Carlo via a First-Order Penalty Approach

Giovanni Li Manni, Oskar Weser, Niklas Liebermann, Daniel Kats, Ali Alavi

Version 1 posted 17 January 2022

287

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Biological and Medicinal Chemistry

Working Paper

Bacterial Extracellular Electron Transfer Components are Spin Selective

Christina M. Niman, Nir Sukenik, Tram Dang, Justus Nwachukwu, Anne K. Jones, Ron Naaman, Kakali Santra, Tapan K. Das, Yossi Paltiel, Lech Tomasz Baczewski, Mohamed Y. El-Naggar

Version 1 posted 03 April 2023

451

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1

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Inorganic Chemistry

Working Paper

Machine-Learning Screening of Inorganic Compounds for Defect Spin Properties

Abdullahi Isse

Version 1 posted 07 June 2024

43

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Physical Chemistry

Working Paper

Probing the design rules for densely packed organic triplet media for spin-based quantum devices

Max Attwood, Yingxu Li, Irena Nevjestic, Phil Diggle, Alberto Collauto, Muskaan Betala, Andrew J. P. White, Mark Oxborrow

Version 1 posted 24 April 2024

132

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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

311

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Materials Science

Working Paper

Time-reversal equivariant neural network potential and Hamiltonian for magnetic materials

Hongyu Yu, Yang Zhong, Junyi Ji, Xingao Gong, Hongjun Xiang

Version 1 posted 23 November 2022

192

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Facile hyperpolarization chemistry for molecular imaging and metabolic tracking of [1-13C]pyruvate in vivo

Austin Browning, Keilian MacCulloch, David Guarin Bedoya, Carlos Dedesma, Boyd M Goodson, Matthew S Rosen, Eduard Y Chekmenev, Yi-Fen Yen, Patrick TomHon, Thomas Theis

Version 1 posted 20 March 2023

485

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3

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8 results in Spin in Keywords: Spin

Low-Frequency Vibrational Spectroscopy: A Powerful Tool for Revealing Crystalline Magnetic Structures

Spin Purification in Full-CI Quantum Monte Carlo via a First-Order Penalty Approach

Bacterial Extracellular Electron Transfer Components are Spin Selective

Machine-Learning Screening of Inorganic Compounds for Defect Spin Properties

Probing the design rules for densely packed organic triplet media for spin-based quantum devices

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

Time-reversal equivariant neural network potential and Hamiltonian for magnetic materials

Facile hyperpolarization chemistry for molecular imaging and metabolic tracking of [1-13C]pyruvate in vivo

8 results in Keywords: Spin