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Theoretical and Computational Chemistry

Working Paper

Ab Initio Molecular Dynamics Study of Heterogeneity at Amorphous Silica/Water Interface

Tatsuya Joutsuka

Version 1 posted 30 May 2022

198

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Organic Chemistry

Working Paper

On the Aromaticity and Acidity of 1-Hydroxy-4,5-benzotropylium Derivatives

Takuya Kodama, Yuki Kawashima, Zhirong Deng, Mamoru Tobisu

Version 1 posted 08 December 2020

355

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1

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Catalysis

Working Paper

External Acidity as Performance Descriptor in Polyolefin Cracking using Zeolite-Based Materials

Sebastian Rejman, Zoé M. Reverdy, Zeynep Bör, Jaap N. Louwen, Carolin Rieg, Joren M. Dorresteijn, Jan-Kees van der Waal, Eelco T. C. Vogt, Ina Vollmer, Bert M. Weckhuysen

Version 1 posted 22 July 2024

226

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Earth, Space, and Environmental Chemistry

Working Paper

pKa predictions for arsonic acid derivatives.

Miroslava Nedyalkova, Diana Heredia, Marco Lattuada, Joaquín Barroso-Flores

Version 4 posted 22 July 2024

270

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Theoretical and Computational Chemistry

Working Paper

Widespread misinterpretation of pKa terminology and its consequences

Jonathan Zheng, Ivo Leito, William Green

Version 2 posted 08 August 2024

477

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Catalysis

Working Paper

Ethanol Dehydration over Hybrid Mesoporous Aluminosilicate Catalysts Obtained in One Pot by Non-Hydrolytic Sol-Gel

Ales Styskalik, Imène Kordoghli, Claude Poleunis, Arnaud Delcorte, Zdenek Moravec, Lucie Simonikova, Viktor Kanický, Carmela Aprile, Luca Fusaro, Damien Debecker

Version 1 posted 22 May 2020

514

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Catalysis

Working Paper

Tropane and Related Alkaloid Skeletons via a Radical [3+3]-Annulation Process

Eloïse Colson, Julie Andrez, Ali Dabbous, Frabrice Dénès, Vincent Maurel, Jean-Marie Mouesca, Philippe Renaud

Version 2 posted 24 November 2021

619

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Inorganic Chemistry

Working Paper

Molecular Influences on the Quantification of Lewis Acidity with Phosphine Oxide Probes

Riddhi Golwankar, Davis Curry, Cecilia Paranjothi, James Blakemore

Version 1 posted 06 January 2023

339

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Theoretical and Computational Chemistry

Working Paper

pKa Prediction in Non-Aqueous Solvents

Jonathan W. Zheng, Emad Al Ibrahim, William H. Green

Version 2 posted 13 May 2024

503

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Inorganic Chemistry

Working Paper

Formation and structures of palladium-cyanomethyl complexes generated under unexpectedly mild conditions: quantifying the acidification of acetonitrile coordinated to a palladium center

Nicholas Garcia, Bianca Catungal, Christopher Zall

Version 1 posted 04 January 2023

127

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10 results in acidity in Keywords: acidity

Ab Initio Molecular Dynamics Study of Heterogeneity at Amorphous Silica/Water Interface

On the Aromaticity and Acidity of 1-Hydroxy-4,5-benzotropylium Derivatives

External Acidity as Performance Descriptor in Polyolefin Cracking using Zeolite-Based Materials

pKa predictions for arsonic acid derivatives.

Widespread misinterpretation of pKa terminology and its consequences

Ethanol Dehydration over Hybrid Mesoporous Aluminosilicate Catalysts Obtained in One Pot by Non-Hydrolytic Sol-Gel

Tropane and Related Alkaloid Skeletons via a Radical [3+3]-Annulation Process

Molecular Influences on the Quantification of Lewis Acidity with Phosphine Oxide Probes

pKa Prediction in Non-Aqueous Solvents

Formation and structures of palladium-cyanomethyl complexes generated under unexpectedly mild conditions: quantifying the acidification of acetonitrile coordinated to a palladium center

10 results in Keywords: acidity