Results 41 to 50 of about 2,189,236 (165)
A model for the hydrogen bond [PDF]
Proceedings of the National Academy of Sciences, 1975 A model of the linear hydrogen bond has been devised which is characterized by three physical parameters of the isolated electron donor and proton donor molecules: μ A-H , the bond dipole moment; Δ I , the difference in ionization potential between that of the electron donor and the ...
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l-Alanine hydrochloride monohydrate
Acta Crystallographica Section E, 2008 Colorless crystals of l-alanine hydrochloride monohydrate, C3H8NO2+·Cl−·H2O, were obtained from a powder sample that had been left standing in a refrigerator for a few years.
Shigeyuki Yokoyama +4 more
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Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site [PDF]
Proceedings of the National Academy of Sciences of the United States of America, 2014 Significance Because of the low mass of the proton, nuclear quantum effects can dramatically alter the properties of hydrogen-bond networks, especially when short and strong hydrogen bonds occur.
Lu Wang, S. Fried, S. Boxer, T. Markland
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Quantifying hydrogen bonding using electrically tunable nanoconfined water
Nature CommunicationsHydrogen bonding plays a crucial role in biology and technology, yet it remains poorly understood and quantified despite its fundamental importance. Traditional models, which describe hydrogen bonds as electrostatic interactions between electropositive ...
Ziwei Wang +13 more
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2-[(Pyridin-3-ylamino)methyl]phenol
Acta Crystallographica Section E, 2011 In the title compound, C12H12N2O, the aromatic rings at either ends of the –CH2–NH– link are twisted by 68.79 (7)°.
Jing Xu, Shan Gao, Seik Weng Ng
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Effect of the Hydration Shell on the Carbonyl Vibration in the Ala-Leu-Ala-Leu Peptide
Molecules, 2021 The vibrational spectrum of the Ala-Leu-Ala-Leu peptide in solution, computed from first-principles simulations, shows a prominent band in the amide I region that is assigned to stretching of carbonyl groups.
Irtaza Hassan +2 more
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(Z)-N-Methyl-2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbothioamide
Acta Crystallographica Section E, 2012 In the title compound, C11H12N4OS, an intramolecular N—H...O hydrogen bond generates an S(6) ring motif. In the crystal, the molecules form a helical chain along the a axis through an N—H...O hydrogen bond.
Amna Qasem Ali +4 more
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Acta Crystallographica Section E: Crystallographic CommunicationsIn the structure of the title compound, C17H18N2O7·H2O, hydrogen bonds link three molecules to the water molecule. Additional hydrogen-bonding interactions connect two molecules via the amide nitrogen donor and two methoxy oxygen acceptors.
Mamadou Lo +5 more
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Hydrogen Bonds and Life in the Universe [PDF]
Life, 2018 The scientific community is allocating more and more resources to space missions and astronomical observations dedicated to the search for life beyond Earth. This experimental endeavor needs to be backed by a theoretical framework aimed at defining universal criteria for the existence of life.
Giovanni Vladilo, Ali Hassanali
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(2E)-2-(3-Ethoxy-2-hydroxybenzylidene)hydrazinecarboxamide
Acta Crystallographica Section E, 2013 The title compound, C10H13N3O3, adopts an E conformation with respect to the azomethine bond and crystallizes in the amide form. A classical intramolecular O—H...N hydrogen bond is present.
A. Ambili Aravindakshan +2 more
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