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Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease

Lewis Turner, Alexander Lund Nielsen, Lucy Lin, Antonio J. Campedelli, Nicholas Silvaggi, Jason Chen, Amanda E. Wakefield, Karen N. Allen, Kim janda

Version 1 posted 08 June 2021

276

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Physical Chemistry

Working Paper

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

Tian Lu, Qinxue Chen, Zeyu Liu

Version 2 posted 23 December 2019

6,897

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6

Citations

Inorganic Chemistry

Working Paper

Isoreticular Linker Substitution in Conductive Metal–Organic Frameworks with Through-Space Transport Pathways

Lilia S. Xie, Sarah S. Park, Michał J. Chmielewski, Hanyu Liu, Ruby A. Kharod, Luming Yang, Michael G. Campbell, Mircea Dinca

Version 1 posted 01 April 2020

701

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Materials Chemistry

Working Paper

Synergistic Effect of Hydrogen Bonding and π-π Stacking Enables Long Cycle Life in Organic Electrode Materials

Madison R. Tuttle, Shelby Davis, Shiyu Zhang

Version 1 posted 20 November 2020

537

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Polymer Science

Working Paper

Unravelling a novel mechanism in polymer self-assemblies: An order-order transition based on molecular interactions between hydrophilic and hydrophobic polymer blocks

Lukas Hahn, Theresa Zorn, Josef Kehrein, Tobias Kielholz, Anna-Lena Ziegler, Stefan Forster, Benedikt Sochor, Ekaterina S. Lisitsyna, Nikita Durandin, Timo Laaksonen, Vladimir Aseyev, Christoph Sotriffer, Maike Windbergs, Ann-Christin Pöppler, Robert Luxenhofer

Version 2 posted 31 August 2021

779

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1

Citations

Organic Chemistry

Working Paper

Reinterpreting π-Stacking

Kevin Carter-Fenk, John Herbert

Version 1 posted 07 October 2020

2,318

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Theoretical and Computational Chemistry

Working Paper

Independent gradient model based on Hirshfeld partition (IGMH): A new method for visual study of interactions in chemical systems

Tian Lu, Qinxue Chen

Version 2 posted 06 December 2021

2,092

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Theoretical insight into complexation between cyclocarbons and C60 fullerene

Zeyu Liu, Tian Lu

Version 1 posted 25 April 2024

32

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8 results in pi-pi stacking in Keywords: pi-pi stacking

Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

Isoreticular Linker Substitution in Conductive Metal–Organic Frameworks with Through-Space Transport Pathways

Synergistic Effect of Hydrogen Bonding and π-π Stacking Enables Long Cycle Life in Organic Electrode Materials

Unravelling a novel mechanism in polymer self-assemblies: An order-order transition based on molecular interactions between hydrophilic and hydrophobic polymer blocks

Reinterpreting π-Stacking

Independent gradient model based on Hirshfeld partition (IGMH): A new method for visual study of interactions in chemical systems

Theoretical insight into complexation between cyclocarbons and C60 fullerene

8 results in Keywords: pi-pi stacking