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Theoretical and Computational Chemistry

Working Paper

Linear-Scaling Local Natural Orbital-based Full Triples Treatment in Coupled-Cluster Theory

Andy Jiang, Henry Schaefer III, Justin Turney

Version 1 posted 23 December 2024

0

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Inorganic Chemistry

Working Paper

Cooperative Adsorption of Carbon Disulfide in Diamine-Appended Metal– Organic Frameworks

C. Michael McGuirk, Rebecca L. Siegelman, Walter S. Drisdell, Tomče Runčevski, Phillip J. Milner, Julia Oktawiec, Liwen F. Wan, Gregory M. Su, Henry Z. H. Jiang, Douglas A. Reed, Miguel I. Gonzalez, David Prendergast, Jeffrey R. Long

Version 1 posted 20 September 2018

648

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Inorganic Chemistry

Working Paper

Synthesis of a Structurally Perfect d1 Kagome Lattice Antiferromagnet, (CH3NH3)2NaTi3F12

Ningxin Jiang, Arun Ramanathan, John Bacsa, Henry La Pierre

Version 1 posted 06 September 2019

1,153

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Inorganic Chemistry

Working Paper

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

620

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Physical Chemistry

Working Paper

Accurate and Efficient Open-Source Implementation of Domain-Based Local Pair Natural Orbital (DLPNO) Coupled-Cluster Theory Using a t1-Transformed Hamiltonian

Andy Jiang, Zachary Glick, David Poole, Justin Turney, David Sherrill, Henry Schaefer

Version 1 posted 11 June 2024

382

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1

Citations

Inorganic Chemistry

Working Paper

Magnetic Ordering via Itinerant Ferromagnetism in a Metal-Organic Framework

Jesse Park, Brianna Collins, Lucy Darago, Tomce Runcevski, Michael Aubrey, Henry Z. H. Jiang, Ever Velasquez, Mark Green, Jason Goodpaster, Jeffrey R. Long

Version 2 posted 28 May 2020

1,011

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Inorganic Chemistry

Working Paper

Tuning Nitric Oxide Adsorption in Cobalt–Triazolate Frameworks

Julia Oktawiec, Henry Z. H. Jiang, Ari Turkiewicz, Jeffrey R. Long

Version 1 posted 09 September 2020

660

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Inorganic Chemistry

Working Paper

Observation of an Intermediate to H2 Binding in a Metal–organic Framework

Brandon R. Barnett, Hayden A. Evans, Gregory M. Su, Henry Z. H. Jiang, Romit Chakraborty, Didier Banyeretse, Tyler Hartman, Madison Martinez, Benjamin A. Trump, Jacob Tarver, Matthew Dods, Lena M. Funke, Jonas Börgel, Jeffrey A. Reimer, Walter S. Drisdell, Katherine Hurst, Thomas Gennett, Stephen A. FitzGerald, Craig M. Brown, Martin Head-Gordon, Jeffrey R. Long

Version 2 posted 23 June 2021

854

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Inorganic Chemistry

Working Paper

Tetrathiafulvalene-2,3,6,7-tetrathiolate Linker Redox-State Elucidation via S K-edge X-ray Absorption Spectroscopy

Ningxin Jiang, Jan-Niklas Boyn, Arun Ramanathan, Henry LaPierre, John Anderson

Version 1 posted 18 May 2023

141

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Materials Chemistry

Review

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

449

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Refine Search

10 results in Henry Jiang in Authors: Henry Jiang

Linear-Scaling Local Natural Orbital-based Full Triples Treatment in Coupled-Cluster Theory

Cooperative Adsorption of Carbon Disulfide in Diamine-Appended Metal– Organic Frameworks

Synthesis of a Structurally Perfect d1 Kagome Lattice Antiferromagnet, (CH3NH3)2NaTi3F12

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

Accurate and Efficient Open-Source Implementation of Domain-Based Local Pair Natural Orbital (DLPNO) Coupled-Cluster Theory Using a t1-Transformed Hamiltonian

Magnetic Ordering via Itinerant Ferromagnetism in a Metal-Organic Framework

Tuning Nitric Oxide Adsorption in Cobalt–Triazolate Frameworks

Observation of an Intermediate to H2 Binding in a Metal–organic Framework

Tetrathiafulvalene-2,3,6,7-tetrathiolate Linker Redox-State Elucidation via S K-edge X-ray Absorption Spectroscopy

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

10 results in Authors: Henry Jiang