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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

415

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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

665

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Organic Chemistry

Working Paper

Incommensurate phase in Λ-cobalt (III) sepulchrate trinitrate governed by highly competitive N–H···O and C–H···O hydrogen bond networks

Somnath Dey, Andreas Schönleber, Sander van Smaalen, Wolfgang Morgenroth, Finn Krebs Larsen

Version 1 posted 23 November 2021

178

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Theoretical and Computational Chemistry

Working Paper

Molecular Mechanism of Autodissociation in Liquid Water: Density Functional Theory Molecular Dynamics Simulations

Tatsuya Joutsuka

Version 2 posted 26 May 2022

408

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Physical Chemistry

Working Paper

X-ray Absorption Spectral Signature of Quantum Nuclei in Liquid Water

Zhaoru Sun, Lixin Zheng, Mohan Chen, Michael L. Klein, Paesani Lab, Xifan Wu

Version 1 posted 10 May 2018

934

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Theoretical and Computational Chemistry

Working Paper

DFT Performance in the IQA Energy Partition of Small Water Clusters

Fernando Jiménez-Grávalos, José Luis Casals-Sainz, Evelio Francisco, Tomás Rocha-Rinza, Angel Martín Pendás, Jose Manuel Guevara-Vela

Version 1 posted 12 August 2019

569

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Physical Chemistry

Working Paper

Charting Hydrogen Bond Anisotropy

Diogo Santos-Martins, Stefano Forli

Version 1 posted 15 July 2019

1,583

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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

63

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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

476

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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

515

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29 results in Hydrogen bond in Keywords: Hydrogen bond

Strong Hydrogen Bonds Are Not Shielded in Ionic Liquids

Water Capture Mechanisms at Zeolitic Imidazolate Framework Interfaces

Incommensurate phase in Λ-cobalt (III) sepulchrate trinitrate governed by highly competitive N–H···O and C–H···O hydrogen bond networks

Molecular Mechanism of Autodissociation in Liquid Water: Density Functional Theory Molecular Dynamics Simulations

X-ray Absorption Spectral Signature of Quantum Nuclei in Liquid Water

DFT Performance in the IQA Energy Partition of Small Water Clusters

Charting Hydrogen Bond Anisotropy

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

Cooperative Activation of Cellulose with Natural Calcium

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

29 results in Keywords: Hydrogen bond