Results 31 to 40 of about 581,916 (344)
Structure of Simple Dipolar Water-Like Fluids: Primitive Model and Hard Tetrahedra
Frontiers in Chemistry, 2021 Dipolar versions of two qualitatively different types of simple short range model fluids which exhibit the phenomenon of hydrogen bonding and which could thus serve as a reference in equations of state for associating fluids have been considered: the ...
I. Nezbeda, I. Nezbeda
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, 2018 In this Letter, we present a simple model of aqueous interfacial molecular structure and we use this model to isolate the effects of hydrogen bonding on the dielectric properties of the liquid water-vapor interface. By comparing this model to the results
Shin, Sucheol, Willard, Adam P.
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Intermolecular interactions in the chiral and racemic forms of 3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid derived from threonine [PDF]
, 2000 The title compounds, C₁₂H₁₃NO₄, are derived from L-threonine and DL-threonine, respectively. Hydrogen bonding in the chiral derivative, (2S/3R)-3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid, consists of O-Hacid...Oalkyl-H...O=Cindole chains [O...O 2 ...
Brady, Fiona +2 more
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Intermolecular interactions in a phenol-substituted benzimidazole
Acta Crystallographica Section E: Crystallographic Communications, 2019 Hydrogen bonding plays an important role in the design of solid-state structures and gels with desirable properties. 1-(4-Hydroxybenzyl)-2-(4-hydroxyphenyl)-5,6-dimethyl-1H-benzimidazole was isolated as the acetone disolvate, C22H20N2O2·2C3H6O.
David K. Geiger +2 more
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Nature Communications, 2023 In principle, the induced chirality of hybrid perovskites results from symmetry-breaking within inorganic frameworks. However, the detailed mechanism behind the chirality transfer remains unknown due to the lack of systematic studies.
Jaehyun Son +11 more
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Nanostructure of cellulose microfibrils in spruce wood [PDF]
, 2011 The structure of cellulose microfibrils in wood is not known in detail, despite the abundance of cellulose in woody biomass and its importance for biology, energy, and engineering.
A. N. Fernandes +34 more
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Guanidinium 2-(myristoylsulfanyl)ethanesulfonate
Acta Crystallographica Section E, 2011 In the title compound, CH6N3+·C16H31O4S2− [systematic name: guanidinium 2-(tetradecanoylsulfanyl)ethanesulfonate], each 2-(myristoylthio)ethanesulfonate ion displays hydrogen bonding to three guanidinium counter-ions, which themselves ...
Elizabeth S. Monillas +4 more
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Structural and dipolar fluctuations in liquid water: a Car–Parrinello molecular dynamics study [PDF]
, 2016 A Car–Parrinello molecular dynamics simulation was performed to investigate the local tetrahedral order, molecular dipole fluctuations and their interrelation with hydrogen bonding in liquid water.
Guàrdia Manuel, Elvira +2 more
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Physical Review D, 2019 Using the Born-Oppenheimer approximation, we show that exotic resonances, $X$ and $Z$, may emerge as QCD molecular objects made of colored two-quark lumps, states with heavy-light diquarks spatially separated from antidiquarks. With the same method we confirm that doubly heavy tetraquarks are stable against strong decays.
Maiani L., Polosa A. D., Riquer V.
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Molecules, 2017 Most of the halogen bonding receptors for anions described use halogen bonding binding sites solely in the anion recognition process; only a few examples report the study of anion receptors in which the halogen bonding interaction has been used in ...
Fabiola Zapata +4 more
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