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Physical Chemistry

Working Paper

Nitrile IR intensities characterize electric fields and hydrogen bonding in protic, aprotic, and protein environments

Jared Bryce Weaver, Jacek Kozuch, Jacob M. Kirsh, Steven G. Boxer

Version 1 posted 17 January 2022

462

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Theoretical and Computational Chemistry

Working Paper

The Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model

Thomas E. Gartner III, Kelly M. Hunter, Eleftherios Lambros, Alessandro Caruso, Marc Riera, Gregory R. Medders, Athanassios Z. Panagiotopoulos, Pablo G. Debenedetti, Francesco Paesani

Version 2 posted 25 February 2022

1,009

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Physical Chemistry

Working Paper

Ab Initio Metadynamics Calculations of Dimethylamine for Probing pKb Variations in Bulk vs. Surface Environments

Sohag Biswas, Hyuna Kwon, Kelley Barsanti, Nanna Myllys, James N. Smith, Bryan Wong

Version 2 posted 03 November 2020

643

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Catalysis

Working Paper

Hydrogen Bonding Effect on the Oxygen Binding and Activa-tion in Cobalt(III)-peroxo Complexes

Rob Bakker, Abhinav Bairagi, Guilherme L. Tripodi, Aleksandr Y. Pereverzev, Jana Roithova

Version 1 posted 29 April 2022

330

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Materials Chemistry

Working Paper

Synergistic Effect of Hydrogen Bonding and π-π Stacking Enables Long Cycle Life in Organic Electrode Materials

Madison R. Tuttle, Shelby Davis, Shiyu Zhang

Version 1 posted 20 November 2020

537

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Physical Chemistry

Working Paper

Microscopic Structural Features of Water in Aqueous-Reline Mixture of Varying Composition

Soham Sarkar, Atanu Maity, Rajarshi Chakrabarti

Version 1 posted 29 December 2020

399

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Biological and Medicinal Chemistry

Working Paper

When Are Two Hydrogen Bonds Better than One? Accurate First-Principles Models Explain the Balance of Hydrogen Bond Donors and Acceptors Found in Proteins

Vyshnavi Vennelakanti, Helena W. Qi, Rimsha Mehmood, Heather Kulik

Version 1 posted 14 September 2020

447

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Materials Science

Working Paper

Straightforward Preparation of Supramolecular Janus Nanorods by Hydrogen Bonding of End-Functionalized Polymers

Shuaiyuan Han, Sandrine Pensec, Cédric Lorthioir, Jacques Jestin, Jean-Michel Guigner, Jutta Rieger, François Stoffelbach, Erwan Nicol, Olivier Colombani, Laurent Bouteiller

Version 1 posted 29 April 2020

430

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Polymer Science

Working Paper

A 2D-Covalent Organic Framework with Interlayer Hydrogen Bonding Oriented Through Designed Non-Planarity

Sampath B. Alahakoon, Kui Tan, Haardik Pandey, Gregory T. McCandless, Daniel Grinffiel, Alejandra Durand-Silva, T. Thonhauser, Ron Smaldone

Version 1 posted 30 March 2020

995

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Biological and Medicinal Chemistry

Working Paper

Folding of the Transmembrane 25-Residues Influenza A M2 and Ala-25 Peptides

Ioannis Stylianakis, Steve Scheiner, Isaiah Arkin, Nikolas Glykos, Antonios Kolocouris

Version 1 posted 08 January 2020

440

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76 results in Hydrogen bonding in Keywords: Hydrogen bonding

Nitrile IR intensities characterize electric fields and hydrogen bonding in protic, aprotic, and protein environments

The Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model

Ab Initio Metadynamics Calculations of Dimethylamine for Probing pKb Variations in Bulk vs. Surface Environments

Hydrogen Bonding Effect on the Oxygen Binding and Activa-tion in Cobalt(III)-peroxo Complexes

Synergistic Effect of Hydrogen Bonding and π-π Stacking Enables Long Cycle Life in Organic Electrode Materials

Microscopic Structural Features of Water in Aqueous-Reline Mixture of Varying Composition

When Are Two Hydrogen Bonds Better than One? Accurate First-Principles Models Explain the Balance of Hydrogen Bond Donors and Acceptors Found in Proteins

Straightforward Preparation of Supramolecular Janus Nanorods by Hydrogen Bonding of End-Functionalized Polymers

A 2D-Covalent Organic Framework with Interlayer Hydrogen Bonding Oriented Through Designed Non-Planarity

Folding of the Transmembrane 25-Residues Influenza A M2 and Ala-25 Peptides

76 results in Keywords: Hydrogen bonding