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Theoretical and Computational Chemistry

Working Paper

Revisiting Ion-Pair Interactions in Phase Transfer Catalysis: From Pure Ionic Compounds to Real Catalyst Systems

Iñigo Iribarren, Eric Mates, Cristina Trujillo

Version 1 posted 29 August 2023

225

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Chemical Engineering and Industrial Chemistry

Working Paper

Chemical Accuracy Prediction of Molecular Solvation and Partition in Ionic Liquids with Educated Estimators

Zuo-yuan Zhang, Xiaohui Wang, Qiaole He, Zhaoxi Sun

Version 1 posted 24 August 2023

83

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Theoretical and Computational Chemistry

Working Paper

Intermolecular Bending States and Tunneling Splittings of Water Trimer from Rigorous 9D Quantum Calculations: I. Methodology, Energy Levels, and Low-Frequency Spectrum

Peter M. Felker, Irén Simkó, Zlatko Bačić

Version 1 posted 30 July 2024

65

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Inorganic Chemistry

Working Paper

Mechanical Bond Enhanced Lithium Halide Ion-Pair Binding by Halogen Bonding Heteroditopic Rotaxanes

Vihanga Munasinghe, Jessica Pancholi, Dilhan Manawadu, Zongyao Zhang, Paul Beer

Version 1 posted 18 April 2022

214

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Organic Chemistry

Working Paper

Coumarin-bisureas as potent fluorescent transmembrane anion transporters

Mohamed Fares, Xin Wu, Daniel A. McNaughton, Alexander M. Gilchrist, William Lewis, Paul A. Keller, Alain Arias-Betancur, Ricardo Pérez-Tomás, Philip Alan Gale

Version 1 posted 07 October 2021

526

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Materials Chemistry

Working Paper

Water Capture Mechanisms at Zeolitic Imidazolate Framework Interfaces

Jackson Wagner, Kelly Hunter, Francesco Paesani, Wei Xiong

Version 3 posted 28 October 2021

750

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Organic Chemistry

Working Paper

A New Low-Barrier Hydrogen Bond System: Free-Base Corrole Anion

Arup Tarai, Jyoti Prakash Mallick, Pranjali Singh, Jeanet Conradie, Sanjib Kar, Abhik Ghosh

Version 1 posted 19 May 2023

234

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Physical Chemistry

Working Paper

Strong Hydrogen Bonds Are Not Shielded in Ionic Liquids

Teresa Naranjo, Rubén Álvarez-Asencio, Patricia Pedraz, Belén Nieto-Ortega, Enrique Burzurí, Mark W. Rutland, Emilio Pérez

Version 1 posted 05 June 2019

426

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Catalysis

Working Paper

Cooperative Activation of Cellulose with Natural Calcium

Gregory G. Facas, Vineet Maliekkal, Cheng Zhu, Matthew Neurock, Paul Dauenhauer

Version 1 posted 05 October 2020

504

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Theoretical and Computational Chemistry

Working Paper

QM/MM Simulations of Organic Phosphorus Adsorption at the Diaspore-Water Interface

Prasanth Babu Ganta, Oliver Kühn, Ashour A. Ahmed

Version 1 posted 06 May 2019

526

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Refine Search

34 results in Hydrogen Bond in Keywords: Hydrogen Bond

Revisiting Ion-Pair Interactions in Phase Transfer Catalysis: From Pure Ionic Compounds to Real Catalyst Systems

Chemical Accuracy Prediction of Molecular Solvation and Partition in Ionic Liquids with Educated Estimators

Intermolecular Bending States and Tunneling Splittings of Water Trimer from Rigorous 9D Quantum Calculations: I. Methodology, Energy Levels, and Low-Frequency Spectrum

Mechanical Bond Enhanced Lithium Halide Ion-Pair Binding by Halogen Bonding Heteroditopic Rotaxanes

Coumarin-bisureas as potent fluorescent transmembrane anion transporters

Water Capture Mechanisms at Zeolitic Imidazolate Framework Interfaces

A New Low-Barrier Hydrogen Bond System: Free-Base Corrole Anion

Strong Hydrogen Bonds Are Not Shielded in Ionic Liquids

Cooperative Activation of Cellulose with Natural Calcium

QM/MM Simulations of Organic Phosphorus Adsorption at the Diaspore-Water Interface

34 results in Keywords: Hydrogen Bond