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hydrogen bond interactions

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8 results in Keywords: hydrogen bond interactions

Theoretical and Computational Chemistry

Working Paper

Conformational Preferences of Triantennary and Tetraantennary Hybrid N-Glycans in Solution: Insights from 20 μS Long Atomistic Molecular Dynamic Simulations

Rajarshi Roy, Sayan Poddar, Parimal Kar

Version 1 posted 27 July 2020

410

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Physical Chemistry

Working Paper

In-Situ Formation of H-Bonding Imidazole Chains in Break-Junction Experiments

Chuanli Wu, Aminah Alqahtani, Sara Sangtarash, Andrea Vezzoli, Hatef Sadeghi, Craig M. Robertson, Chenxin Cai, Colin Lambert, Simon Higgins, Richard Nichols

Version 1 posted 21 October 2019

586

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Theoretical and Computational Chemistry

Working Paper

Four Resonance Structures Elucidate Double-Bond Isomerisation of a Biological Chromophore

Evgeniy Gromov, Tatiana Domratcheva

Version 1 posted 19 February 2020

608

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Physical Chemistry

Working Paper

A Molecular Mechanism for Azeotrope Formation in Ethanol/benzene Binary Mixtures Through Gibbs Ensemble Monte Carlo Simulation

Dongyang Li, Ziqi Gao, Naveen Kumar Vasudevan, Hong Li, Xin Gao, Xingang Li, Li Xi

Version 1 posted 31 December 2019

906

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Physical Chemistry

Working Paper

Electrostatics, Charge Transfer, and the Nature of the Halide-Water Hydrogen Bond

John Herbert, Kevin Carter-Fenk

Version 1 posted 22 December 2020

356

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Theoretical and Computational Chemistry

Working Paper

Computational Prediction of the Supramolecular Self-Assembling Properties of Organic Molecules: Flexibility vs Rigidity

Laura Le Bras, Yves L. Dory, Benoît CHAMPAGNE

Version 1 posted 29 March 2021

309

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Materials Science

Working Paper

Ubiquitous Presence of Intermolecular CH…O Hydrogen Bonds in As-Synthesized Zeolite Materials

Shadi Al Nahari, Karima Ata, Tzonka Mineva, Bruno Alonso

Version 1 posted 07 June 2021

253

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Theoretical and Computational Chemistry

Working Paper

Low Density Interior in Supercooled Aqueous Nanodroplets Expels Ions to the Subsurface

Shahrazad Moh'd Malek, Victor Kwan, Ivan Saika-Voivod, Styliani Consta

Version 3 posted 23 July 2021

479

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8 results in hydrogen bond interactions in Keywords: hydrogen bond interactions

Conformational Preferences of Triantennary and Tetraantennary Hybrid N-Glycans in Solution: Insights from 20 μS Long Atomistic Molecular Dynamic Simulations

In-Situ Formation of H-Bonding Imidazole Chains in Break-Junction Experiments

Four Resonance Structures Elucidate Double-Bond Isomerisation of a Biological Chromophore

A Molecular Mechanism for Azeotrope Formation in Ethanol/benzene Binary Mixtures Through Gibbs Ensemble Monte Carlo Simulation

Electrostatics, Charge Transfer, and the Nature of the Halide-Water Hydrogen Bond

Computational Prediction of the Supramolecular Self-Assembling Properties of Organic Molecules: Flexibility vs Rigidity

Ubiquitous Presence of Intermolecular CH…O Hydrogen Bonds in As-Synthesized Zeolite Materials

Low Density Interior in Supercooled Aqueous Nanodroplets Expels Ions to the Subsurface

8 results in Keywords: hydrogen bond interactions