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Journal of the American Chemical Society|January 26, 2024
Selective Adsorption of Oxygen from Humid Air in a Metal-Organic Framework with Trigonal Pyramidal Copper(I) SitesKurtis M Carsch, Adrian J Huang, Matthew N Dods, et al.Journal of the American Chemical Society|June 12, 2026
Toward Hydrogen Isotope Separations through Strong Hydrogen Adsorption at Open Copper(I) Sites in an Ultramicroporous Metal-Organic FrameworkYuto Yabuuchi, Hiroyasu Furukawa, Ryan A Klein, et al.Journal of the American Chemical Society|July 10, 2025
Mechanistic Studies of Oxidative Degradation in Diamine-Appended Metal-Organic Frameworks Exhibiting Cooperative CO2 CaptureShuoyan Xiong, Alistair J Sterling, Nikolay V Tkachenko, et al.The Journal of Physical Chemistry. B|August 12, 2016
Advanced Potential Energy Surfaces for Molecular SimulationAlex Albaugh, Henry A Boateng, Richard T Bradshaw, et al.Journal of the American Chemical Society|August 31, 2021
Observation of an Intermediate to H2 Binding in a Metal-Organic FrameworkBrandon R Barnett, Hayden A Evans, Gregory M Su, et al.Science (New York, N.Y.)|November 14, 2024
High-temperature carbon dioxide capture in a porous material with terminal zinc hydride sitesRachel C Rohde, Kurtis M Carsch, Matthew N Dods, et al.Journal of Chemical Theory and Computation|September 28, 2023
A Perspective on Sustainable Computational Chemistry Software Development and IntegrationRosa Di Felice, Maricris L Mayes, Ryan M Richard, et al.Journal of Chemical Theory and Computation|November 11, 2025
A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25-100 Logical QubitsYuri Alexeev, Victor S Batista, Nicholas Bauman, et al.Physical Chemistry Chemical Physics : PCCP|August 12, 2006
Advances in methods and algorithms in a modern quantum chemistry program packageYihan Shao, Laszlo Fusti Molnar, Yousung Jung, et al.The Journal of Chemical Physics|September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageEvgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.Pageof 44