Results 41 to 50 of about 272 (215)

Probing the stiffness of the simplest double hydrogen bond: The symmetric hydrogen bond modes of jet-cooled formic acid dimer [PDF]

The Journal of Chemical Physics, 2009
Formic acid dimer is held together and kept planar by two strong hydrogen bonds, which give rise to intermolecular vibrations. Raman active fundamentals, overtones, and combination bands involving out-of-plane bending and stretching vibrations of the hydrogen bonds are recorded under jet-cooled, vacuum-isolated conditions between 100 and 750 cm−1 and ...
Xue, Z., Suhm, Martin A.
openaire   +3 more sources

High‐Resolution Corrosion Fingerprinting of Alloy Libraries via Microdroplet Spectroelectrochemistry

Advanced Engineering Materials, EarlyView.
Ionic‐liquid microdroplet spectroelectrochemistry enables stable, localized electrochemical measurements over extended timescales. By coupling impedance spectroscopy, wetting analysis, finite‐element simulations, and operando Raman spectroscopy, it disentangles geometrical and electrochemical effects, opening new opportunities for rapid corrosion ...
Ekaterina Kurchavova, Oumaïma Gharbi, Mireille Turmine, Vincent Vivier   +3 more
wiley   +1 more source

Modelling of the electronic and ferroelectric properties of trichloroacetamide using Monte Carlo and first-principles calculations

Journal of Materiomics, 2017
The electronic structure and ferroelectric mechanism of trichloroacetamide were studied using first principles calculations and density functional theory within the generalized gradient approximation.
Yaxuan Cai, Shijun Luo, Zhao Wang, Juan Xiong, Haoshuang Gu   +4 more
doaj   +1 more source

Isotope effect on hydrogen bond symmetrization in hydrogen and deuterium fluoride crystals by molecular dynamics simulation [PDF]

Physical Chemistry Chemical Physics, 2019
We evidence the symmetrization of the H-bonds occurring in HF and the deuteron hopping in DF through the tunnel effect.
Hichem Dammak, Fabien Brieuc, Grégory Geneste, Marc Torrent, Marc Hayoun   +4 more
openaire   +3 more sources

Composites of Shellac and Silver Nanowires as Flexible, Biobased, and Corrosion‐Resistant Transparent Conductive Electrodes

Advanced Functional Materials, EarlyView.
Shellac, a centuries‐old natural resin, is reimagined as a green material for flexible electronics. When combined with silver nanowires, shellac films deliver transparency, conductivity, and stability against humidity. These results position shellac as a sustainable alternative to synthetic polymers for transparent conductors in next‐generation ...
Rahaf Nafez Hussein, Tiago Carneiro Gomes, Eliza Ng, Simon Rondeau‐Gagné, Tricia Breen Carmichael   +4 more
wiley   +1 more source

2-Amino-5-methylpyridinium 2-carboxybenzoate

Acta Crystallographica Section E, 2010
In the title salt, C6H9N2+·C8H5O4−, the hydrogen phthalate anion is essentially planar, with a maximum deviation of 0.011 (2) Å.
Madhukar Hemamalini, Hoong-Kun Fun
doaj   +1 more source

A MATHEMATICAL THEORY FOR VIBRATIONAL LEVELS ASSOCIATED WITH HYDROGEN BONDS II: THE NON-SYMMETRIC CASE [PDF]

Reviews in Mathematical Physics, 2007
We propose an alternative to the usual time-independent Born–Oppenheimer approximation that is specifically designed to describe molecules with non-symmetrical hydrogen bonds. In our approach, the masses of the hydrogen nuclei are scaled differently from those of the heavier nuclei, and we employ a specialized form for the electron energy level ...
Hagedorn, George, Joye, Alain
openaire   +6 more sources

Advances in Sustainable and Wearable Textile Based Soft Robotics

Advanced Functional Materials, EarlyView.
This Review examines advances in wearable textile‐based soft robotics, focusing on sustainable materials, integrated sensing, and scalable actuation. It discusses manufacturing and system integration across healthcare, assistive robotics, prosthetics, and human–machine interfaces, and highlights key challenges in circular design, including life‐cycle ...
Zahir Abbas, Marzia Dulal, Sophia K. Novoselov, Victoria K. Novoselov, Kostya S. Novoselov, Shaila Afroj, Nazmul Karim   +6 more
wiley   +1 more source

Structure‐Guided Dynamical Mechanics in Bioinspired Double Twisted Laminated Thin Films

Advanced Functional Materials, EarlyView.
This work explores a dynamic mechanistic study of crack propagation and puncture testing via real‐time monitoring of crack initiation, propagation, and termination through nature‐inspired single and double twisted architectures fabricated from cellulose nanocrystals.
Justin Brackenridge, Olivia Harper, Jaejun Lee, Sergio Gonzalez‐Munoz, Vladimir V. Tsukruk   +4 more
wiley   +1 more source

Dynamic anti-correlations of water hydrogen bonds

Nature Communications
Water is characterized by strong intermolecular hydrogen bonds (H-bonds) between molecules. The two hydrogen atoms in one water molecule can form H-bonds of dissimilar length. Although intimately connected to water’s anomalous properties, the details and
Lucas Gunkel, Amelie A. Ehrhard, Carola S. Krevert, Bogdan A. Marekha, Mischa Bonn, Maksim Grechko, Johannes Hunger   +6 more
doaj   +1 more source