Results 71 to 80 of about 2,649,388 (257)
Two Distinct Modes of Hydrogen-Bonding Interaction in the Prototypic Hybrid Halide Perovskite, Tetragonal CH3NH3PbI3 [PDF]
arXiv, 2015 In spite of the key role of hydrogen bonding in the structural stabilization of the prototypic hybrid halide perovskite, CH3NH3PbI3 (MAPbI3), little progress has been made in our in-depth understanding of the hydrogen-bonding interaction between the MA+-ion and the iodide ions in the PbI6-octahedron network.
arxiv
Non-adiabatic theory of the hydrogen bond. Quantum computation? [PDF]
arXiv, 2021 The hydrogen bond is usually described within the clamped nucleus approximation in which electronic and vibrational motions are considered separately. This approach leads to a double-well potential which facilitates proton tunnelling. In this work, the hydrogen bond is described by a formalism based on the non-adiabatic Hamiltonian in which electronic ...
arxiv
Direct imaging of the induced‐fit effect in molecular self‐assembly [PDF]
, 2019 Molecular recognition is a crucial driving force for molecular self‐assembly. In many cases molecules arrange in the lowest energy configuration following a lock‐and‐key principle.
Baum, Sebastian +5 more
core +1 more source
How Cellulose Stretches: Synergism between Covalent and Hydrogen Bonding
Biomacromolecules, 2014 Cellulose is the most familiar and most abundant strong biopolymer, but the reasons for its outstanding mechanical performance are not well understood.
C. Altaner +3 more
semanticscholar +1 more source
Advanced Engineering Materials, EarlyView.Molecular dynamics simulations are advancing the study of ribonucleic acid (RNA) and RNA‐conjugated molecules. These developments include improvements in force fields, long‐timescale dynamics, and coarse‐grained models, addressing limitations and refining methods.
Kanchan Yadav, Iksoo Jang, Jong Bum Lee
wiley +1 more source
Advanced Engineering Materials, EarlyView.The authors explore thermally initiated diazonium chemical surface modification as a means of improving the mechanical performance of milled carbon fibers in epoxy matrix systems at varying loadings by weight. They report significant improvements at <1% w/w loading through examination of flexural and tensile strength and modulus.
Ben Newman +4 more
wiley +1 more source
Journal of Organic Chemistry, 2014 (1)H NMR chemical shifts have been obtained in the solvents deuterochloroform and dimethyl sulfoxide. The difference in the chemical shifts of an OH or NH group in these two solvents, Δδ = δ(DMSO) - δ(CDCl3), can be converted into the hydrogen bond ...
M. Abraham +5 more
semanticscholar +1 more source
Advanced Engineering Materials, EarlyView.This study demonstrates the feasibility of fabricating free‐standing carbon paper electrodes by electroplating and galvanic replacement. Nanostructured AgM (M = Au, Pt, Pd) bimetallic catalysts are directly grown on the electrode substrate, which exhibit good performance for glycerol electrolysis, a sustainable approach for the co‐production of green ...
Hui Luo, Maria‐Magdalena Titirici
wiley +1 more source
Hydrogen-bonding in aminocatalysis: from proline and beyond.
Chemistry, 2014 This Concept article summarizes recent progress in the field of hydrogen-bonding aminocatalysis using proline-derived systems. The aminocatalysts available in the literature are categorized by the incorporated hydrogen-bonding scaffold and its mode of ...
Lukasz Albrecht +2 more
semanticscholar +1 more source
Hybrid Framework Materials: Next‐Generation Engineering Materials
Advanced Engineering Materials, EarlyView.Hybrid organic–inorganic materials merge the unique properties of organic and inorganic compounds, enabling applications in optoelectronics, gas storage, and catalysis. This review explores metal‐organic frameworks, hybrid organic–inorganic perovskites, and the emerging field of hybrid glasses, emphasizing their structures, functionalities, and ...
Jay McCarron +2 more
wiley +1 more source