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5 results in Authors: Yuto Yabuuchi

Theoretical and Computational Chemistry

Computational Optimization of Room Temperature Usable Capacity for Hydrogen Storage in MFU-4-Type Metal–Organic Frameworks via Pairwise Metal Substitutions

Nikolay V. Tkachenko, Yuto Yabuuchi, Kurtis M. Carsch, Hiroyasu Furukawa, Jeffrey R. Long, Martin Head-Gordon

Version 1 posted 20 June 2024

260

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2

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Inorganic Chemistry

Geometric Tuning of Coordinatively Unsaturated Copper(I) Sites in Metal–Organic Frameworks for Ambient-Temperature Hydrogen Storage

Yuto Yabuuchi, Hiroyasu Furukawa, Kurtis M. Carsch, Ryan A. Klein, Nikolay V. Tkachenko, Adrian J. Huang, Yongqiang Cheng, Keith M. Taddei, Eric Novak, Craig M. Brown, Martin Head-Gordon, Jeffrey R. Long

Version 1 posted 19 June 2024

511

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Materials Chemistry

Quantum Chemical Modeling of Hydrogen Binding in Metal--Organic Frameworks: Validation, Insight, Predictions and Challenges.

Romit Chakraborty, Justin Talbot, Hengyuan Shen, Yuto Yabuuchi, Kurtis Carsch, Henry Z. H. Jiang, Hiroyasu Furukawa, Jeffrey R. Long, Martin Head-Gordon

Version 1 posted 09 November 2023

390

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Inorganic Chemistry

Selective Adsorption of Oxygen from Humid Air in a Metal–Organic Framework with Trigonal Pyramidal Copper(I) Sites

Kurtis Carsch, Adrian Huang, Matthew Dods, Surya Parker, Rachel Rohde, Henry Jiang, Yuto Yabuuchi, Sarah Karstens, Hyunchul Kwon, Romit Chakraborty, Karen Bustillo, Katie Meihaus, Hiroyasu Furukawa, Andrew Minor, Martin Head-Gordon, Jeffrey Long

Version 1 posted 05 October 2023

606

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Prediction of Multiple Hydrogen Ligation at a Vanadium(II) Site in a Metal-Organic Framework

Romit Chakraborty, Kurtis M. Carsch, David E. Jaramillo, Yuto Yabuuchi, Hiroyasu Furukawa, Jeffrey R. Long, Martin Head-Gordon

Version 1 posted 21 September 2022

297

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