Results 1 to 10 of about 252,572 (169)
A quantum chemical study of the interaction of carboxylic acids with DMSO
Mongolian Journal of Chemistry, 2022 Quantum chemical computational methods, which use quantum mechanics and molecular dynamics theory, have developed rapidly in the past few decades, and quantum chemical computation has penetrated almost all fields of chemistry.
Mu Ren +3 more
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Factors affecting the refractive index of amino acid-based deep eutectic solvents
Chemical Thermodynamics and Thermal Analysis, 2021 Effect of hydrogen-bonding donor, hydrogen-bonding acceptor, mole ratio, components and temperature on the refractive index of amino acid-based DESs is investigated.
Yu Chen +8 more
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Intramolecular Hydrogen Bonding 2021
Molecules, 2021 Undoubtedly, hydrogen bonds occupy a leading place in the rich world of intermolecular interactions [...]
Mirosław Jabłoński
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Elucidation of Charge Contribution in Iridium-Chelated Hydrogen-Bonding Systems
Frontiers in Chemistry, 2021 We present two iridium complexes 1H+ and 2H+ that contain cationic ligands to extend the knowledge of charge-assisted hydrogen bonding (CAHB), which counts among the strongest non-covalent bonding interactions.
Barbora Balónová, Barry A. Blight
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Acta Crystallographica Section E: Crystallographic Communications, 2022 The structure of the title compound, 2C18H19ClN4O·HCl or (CNO)2·HCl (C36H39Cl3N8O2), at 100 K has tetragonal (I4/m) symmetry. The dihedral angle between the benzene rings of the fused ring system of the CNO molecule is 40.08 (6)° and the equivalent angle
Phillip L. van der Peet +5 more
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Molecules, 2023 The Topical Collection “Hydrogen Bonds” is a continuation of the previous Special Issue “Intramolecular Hydrogen Bonding 2021” [...]
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Single crystal X-ray structural dataset of 1,2,4-dithiazolium tetrafluoroborate
Data in Brief, 2022 Herein, we present the crystallographic dataset of 1,2,4-dithiazolium tetrafluoroborate. Single crystal X-ray structural analysis evidences that the 1,2,4-dithiazolium ring is almost planar. The 1,2,4-dithiazolium and tetrafluoroborate ions contribute in
Balasubramaniam Arul Prakasam +4 more
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IUCrData, 2022 In the title compound (systematic name: 3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium 2,2,3,3,4,4,4-heptafluorobutyrate), C21H20N3+·C4F7O2−, two ethidium ions, C21H20N3+ form a dimerized structure due to π–π interactions, even though they are ...
Runa Shimazaki, Masaaki Sadakiyo
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A Mechanochromic Hydrogen‐Bonded Rotaxane [PDF]
Macromolecular Rapid Communications, 2020 AbstractTensile forces influence a variety of important biological processes and force sensors are required to study these processes in vivo. Current force sensors are often tailor‐made for a specific application, or activate at much higher forces than those observed at the cellular or tissue level. A versatile force sensor, with tunable mechanical and
Rafael Sandoval‐Torrientes +2 more
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Hydrogen bonding penalty upon ligand binding.
PLoS ONE, 2011 Ligand binding involves breakage of hydrogen bonds with water molecules and formation of new hydrogen bonds between protein and ligand. In this work, the change of hydrogen bonding energy in the binding process, namely hydrogen bonding penalty, is ...
Hongtao Zhao, Danzhi Huang
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