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Theoretical and Computational Chemistry

Working Paper

Binding thermodynamics of host-guest systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative

David Slochower, Niel Henriksen, Lee-Ping Wang, John Chodera, David Mobley, Michael Gilson

Version 2 posted 06 September 2019

1,644

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Polymer Science

Working Paper

Mechanism Dictates Mechanics: A Molecular Substituent Effect in the Macroscopic Fracture of a Covalent Polymer Network

Shu Wang, Haley Beech, Brandon Bowser, Tatiana Kouznetsova, Bradley Olsen, Michael Rubinstein, Stephen Craig

Version 1 posted 11 January 2021

450

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Biological and Medicinal Chemistry

Working Paper

Expedited Mapping of the Ligandable Proteome Using Fully Functionalized Enantiomeric Probe Pairs

Benjamin Cravatt, Yujia Wang, melissa dix, jarrett remsberg, hsin-yu lee, marian kalocsay, steven gygi, gregory vite, michael lawrence, Christopher Parker

Version 1 posted 27 February 2019

3,402

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1

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Materials Science

Working Paper

Toughening Hydrogels Through Force-triggered Chemical Reactions that Lengthen Polymer Strands

Zi Wang, Xu Jun Zheng, Tetsu Ouchi, Tatiana Kouznetsova, Haley Beech, Sarah Av-Ron, Brandon Bowser, Shu Wang, Jeremiah Johnson, Julia Kalow, Bradley Olsen, Jian Ping Gong, Michael Rubinstein, Stephen Craig

Version 1 posted 04 January 2021

2,104

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Organic Chemistry

Working Paper

Pathway Complexity in the Stacking of Imine-linked Macrocycles Related to Two-Dimensional Covalent Organic Frameworks

Shiwei Wang, Anton Chavez, Simil Thomas, Hong Li, Nathan C. Flanders, Chao Sun, Michael J. Strauss, Lin Chen, Albert J. Markvoort, Jean-Luc Bredas, William Dichtel

Version 2 posted 12 March 2019

1,329

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1

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Catalysis

Working Paper

Insights into Hydrogen Evolution Reaction on 2D Transition Metal Dichalcogenides

Zhenbin Wang, Michael Tang, Ang Cao, Karen Chan, Jens Kehlet Nørskov

Version 1 posted 26 May 2021

734

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2

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Theoretical and Computational Chemistry

Working Paper

Optimized Mapping of Gas-Phase Quantum Calculations to General Force Field Lennard-Jones Parameters Based on Liquid-State Data

Sophie Kantonen, Hari S. Muddana, Niel M. Henriksen, Lee-Ping Wang, Michael Gilson

Version 1 posted 29 July 2019

754

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1

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Theoretical and Computational Chemistry

Working Paper

Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

Simon Boothroyd, Pavan Kumar Behara, Owen Madin, David Hahn, Hyesu Jang, Vytautas Gapsys, Jeffrey Wagner, Joshua Horton, David Dotson, Matthew Thompson, Jessica Maat, Trevor Gokey, Lee-Ping Wang, Daniel Cole, Michael Gilson, John Chodera, Christopher Bayly, Michael Shirts, David Mobley

Version 2 posted 10 January 2023

1,467

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2

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Materials Chemistry

Working Paper

Layered Structures of Assembled Imine-Linked Macrocycles and Two-Dimensional Covalent Organic Frameworks Give Rise to Prolonged Exciton Lifetimes

Waleed Helweh, Nathan Flanders, Shiwei Wang, Brian Phelan, Pyosang Kim, Michael Strauss, Rebecca Li, Matthew Kelley, Matthew Kirschner, Dillon Edwards, Austin Spencer, George Schatz, Richard Schaller, William Dichtel, Lin Chen

Version 1 posted 11 October 2021

537

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Theoretical and Computational Chemistry

Working Paper

On the Role of α-Alumina in the Origin of Life: Surface Driven Assembly of Amino Acids

Ruiyu Wang, Richard C. Remsing, Michael L. Klein, Eric Borguet, Vincenzo Carnevale

Version 1 posted 16 August 2024

170

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76 results in Michael Wang in Authors: Michael Wang

Binding thermodynamics of host-guest systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative

Mechanism Dictates Mechanics: A Molecular Substituent Effect in the Macroscopic Fracture of a Covalent Polymer Network

Expedited Mapping of the Ligandable Proteome Using Fully Functionalized Enantiomeric Probe Pairs

Toughening Hydrogels Through Force-triggered Chemical Reactions that Lengthen Polymer Strands

Pathway Complexity in the Stacking of Imine-linked Macrocycles Related to Two-Dimensional Covalent Organic Frameworks

Insights into Hydrogen Evolution Reaction on 2D Transition Metal Dichalcogenides

Optimized Mapping of Gas-Phase Quantum Calculations to General Force Field Lennard-Jones Parameters Based on Liquid-State Data

Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

Layered Structures of Assembled Imine-Linked Macrocycles and Two-Dimensional Covalent Organic Frameworks Give Rise to Prolonged Exciton Lifetimes

On the Role of α-Alumina in the Origin of Life: Surface Driven Assembly of Amino Acids

76 results in Authors: Michael Wang