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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

434

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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

949

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Organic Chemistry

Working Paper

Hooking Together Sigmoidal Monomers into Supramolecular Polymers

Marco Carini, Mauro Marongiu, Karol Strutyński, Akinori Saeki, Manuel Melle-Franco, Aurelio Mateo-Alonso

Version 1 posted 11 September 2019

435

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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

533

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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

518

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Theoretical and Computational Chemistry

Working Paper

QTAIM-Based Local Potential Energy Model: Applications and Limitations to Quantify the Binding Energy of Intra/intermolecular Interactions

CAIO FIRME

Version 1 posted 13 July 2020

361

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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

600

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Physical Chemistry

Working Paper

Charting Hydrogen Bond Anisotropy

Diogo Santos-Martins, Stefano Forli

Version 1 posted 15 July 2019

2,003

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Catalysis

Working Paper

Tuning the Water Reduction Through Controlled Nanoconfinement Within an Organic Liquid Matrix

Nicolas Dubouis, Alessandra Serva, Roxanne Berthin, Guillaume Jeanmairet, Benjamin Porcheron, Elodie Salager, Mathieu Salanne, Alexis Grimaud

Version 2 posted 01 June 2020

1,387

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Energy

Working Paper

What Makes an Explosion Happen?

Chang Sun

Version 1 posted 20 December 2019

566

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Refine Search

36 results in Hydrogen bond in Keywords: Hydrogen bond

Strong Hydrogen Bonds Are Not Shielded in Ionic Liquids

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

Hooking Together Sigmoidal Monomers into Supramolecular Polymers

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

Cooperative Activation of Cellulose with Natural Calcium

QTAIM-Based Local Potential Energy Model: Applications and Limitations to Quantify the Binding Energy of Intra/intermolecular Interactions

DFT Performance in the IQA Energy Partition of Small Water Clusters

Charting Hydrogen Bond Anisotropy

Tuning the Water Reduction Through Controlled Nanoconfinement Within an Organic Liquid Matrix

What Makes an Explosion Happen?

36 results in Keywords: Hydrogen bond