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Theoretical and Computational Chemistry

Working Paper

CageCavityCalc (C3): A computational tool for calculating and visualizing cavities in Molecular Cages

Vicente Martí-Centelles, Tomasz Krzysztof Piskorz, Fernanda Duarte

Version 1 posted 13 February 2024

691

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2

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Organic Chemistry

Working Paper

Correlating Kinetics and Thermodynamics of Conformational Changes in Ammonium Complexes of a Flexible Naphthocage

Shan He, Mao Quan, Liu-Pan Yang, Ho Yu Au-Yeung, Wei Jiang

Version 1 posted 08 November 2023

243

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Organic Chemistry

Working Paper

Selective Recognition and Sensing of Biologically Important Phosphates Using Triptycene-Based Anion Receptors

Ahmad F. Kassir, Daniel Lupp, Jakub Grabowski, Jaroslaw M. Granda, Janusz Jurczak

Version 1 posted 14 September 2022

573

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Polymer Science

Working Paper

Unravelling competitive interactions between polymer side chains and end groups with β-cyclodextrin

Katharina Ziegler, Yorick Post, André Gröschel, Bart Jan Ravoo

Version 1 posted 05 April 2024

162

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Organic Chemistry

Working Paper

Synthesis of pi-Extended [1.1]Paracyclophanes, [1.1][n]PCP (n = 2, 3, and 4), and Their Through-space Conjugation

Shigeru Yamago, Eiichi Kayahara, Saya Hirata, Yoshiyuki Mizuhata, Yuka Yasuda, Yu Kusakabe, Hironori Kaji

Version 1 posted 14 May 2024

359

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Organic Chemistry

Working Paper

Rim-based binding of perfluorinated acids to pillararenes purifies water

Tu-Nan Gao, Si Huang, Rick Nooijen, Yumei Zhu, Gabriele Kociok-Köhn, Tobias Stuerzer, Guanna Li, Gert Salentijn, Bo Chen, Harry Bitter, Fedor M. Miloserdov, Han Zuilhof

Version 1 posted 02 November 2023

456

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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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Inorganic Chemistry

Working Paper

Guest Encapsulation Within Surface-Adsorbed Self-Assembled Cages

Hugh Ryan, Cally Haynes, Alyssa Smith, Angela Grommet, Jonathan Nitschke

Version 2 posted 23 October 2020

1,150

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Materials Science

Working Paper

Solvent-Free Powder Synthesis and MOF-CVD Thin Films of the Mesoporous Metal-Organic Framework MAF-6

Timothée Stassin, Ivo Stassen, Joao Marreiros, Alexander John Cruz, Rhea Verbeke, Min Tu, Helge Reinsch, Marcel Dickmann, Werner Egger, Ivo Vankelecom, Dirk De Vos, Rob Ameloot

Version 1 posted 23 September 2019

936

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1

Citations

Analytical Chemistry

Working Paper

Effect of lipophilicity in oxyanions responsive Eu(III) complexes

Laura Grenier, Lea G Nielsen, Thomas Just Sørensen

Version 1 posted 10 May 2022

177

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31 results in host-guest chemistry in Keywords: host-guest chemistry

CageCavityCalc (C3): A computational tool for calculating and visualizing cavities in Molecular Cages

Correlating Kinetics and Thermodynamics of Conformational Changes in Ammonium Complexes of a Flexible Naphthocage

Selective Recognition and Sensing of Biologically Important Phosphates Using Triptycene-Based Anion Receptors

Unravelling competitive interactions between polymer side chains and end groups with β-cyclodextrin

Synthesis of pi-Extended [1.1]Paracyclophanes, [1.1][n]PCP (n = 2, 3, and 4), and Their Through-space Conjugation

Rim-based binding of perfluorinated acids to pillararenes purifies water

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

Guest Encapsulation Within Surface-Adsorbed Self-Assembled Cages

Solvent-Free Powder Synthesis and MOF-CVD Thin Films of the Mesoporous Metal-Organic Framework MAF-6

Effect of lipophilicity in oxyanions responsive Eu(III) complexes

31 results in Keywords: host-guest chemistry