Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement
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Ice: A strongly correlated proton systemClose agreement between the orientation dependence of hydrogen bonds observed in protein structures and quantum mechanical calculationsCorrelation of hydrogen bond lengths and angles in liquid water based on Compton scattering.Synthesis of a distinct water dimer inside fullerene C70.Solvation dependence of valence electronic states of water diluted in organic solvents probed by soft X-ray spectroscopy.Molecular orbital analysis of the hydrogen bonded water dimer.An improved hydrogen bond potential: impact on medium resolution protein structures.Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theoryAn evaluation of peptide-bond isosteres.Microscopic properties of liquid water from combined ab initio molecular dynamics and energy decomposition studies.Energy decomposition analysis approaches and their evaluation on prototypical protein-drug interaction patterns.Illuminating water and life: Emilio Del Giudice.Estimating the energy of intramolecular hydrogen bonds from (1)H NMR and QTAIM calculations.Signature of n→π* interactions in α-helices.Density-based energy decomposition analysis for intermolecular interactions with variationally determined intermediate state energies.Aromatic interactions in homeodomains contribute to the low quantum yield of a conserved, buried tryptophan.Density functional theory investigation of cocaine water complexes.Ab initio conformational studies on diols and binary diol-water systems using DFT methods. Intramolecular hydrogen bonding and 1:1 complex formation with water.Interactions of D2O with methane and fluoromethane surfaces.Structures, energies and bonding in neutral and charged Li microclusters.Charge localization in alcohol isomers studied by Compton scattering.Electron donation in the water-water hydrogen bond.A polarizable dipole-dipole interaction model for evaluation of the interaction energies for N-H···O=C and C-H···O=C hydrogen-bonded complexes.The hydrogen bond in ice probed by soft x-ray spectroscopy and density functional theory.Variation of geometries and electron properties along proton transfer in strong hydrogen-bond complexes.Electronic changes due to thermal disorder of hydrogen bonds in liquids: pyridine in an aqueous environment.The hydration of glucose: the local configurations in sugar-water hydrogen bonds.A Critical Check for the Role of Resonance in Intramolecular Hydrogen Bonding.Temperature dependence of the hydrogen bond network in trimethylamine N-oxide and guanidine hydrochloride-water solutions.The nature of selenium hydrogen bonding: gas phase spectroscopy and quantum chemistry calculations.Hydrogen bonding characterization in water and small molecules.QTAIM and stress tensor interpretation of the (H2 O)5 potential energy surface.Stimulated desorption of cations from pristine and acidic low-temperature water ice surfaces.Surprising Hofmeister Effects on the Bending Vibration of Water.Structure, energy, vibrational spectrum, and Bader's analysis of π···H hydrogen bonds and H(-δ)···H(+δ) dihydrogen bonds.Stochastic Liouville equations for hydrogen-bonding fluctuations and their signatures in two-dimensional vibrational spectroscopy of water.Dodecahedral clathrate structures and magic numbers in alkali cation microhydration clusters.Pex, analytical tools for PDB files. II. H-Pex: noncanonical H-bonds in alpha-helices.Direct Spectroscopic Evidence for an n→π* Interaction.Intramolecular structure and energetics in supercooled water down to 255 K.
P2860
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P2860
Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement
description
1999 nî lūn-bûn
@nan
1999 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
1999 թվականի հունվարին հրատարակված գիտական հոդված
@hy
1999年の論文
@ja
1999年論文
@yue
1999年論文
@zh-hant
1999年論文
@zh-hk
1999年論文
@zh-mo
1999年論文
@zh-tw
1999年论文
@wuu
name
Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement
@ast
Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement
@en
Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement
@en-gb
type
label
Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement
@ast
Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement
@en
Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement
@en-gb
prefLabel
Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement
@ast
Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement
@en
Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement
@en-gb
P2093
P1476
Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement
@en
P2093
B. Barbiellini
C. A. Tulk
E. D. Isaacs
P. M. Platzman
P2860
P304
P356
10.1103/PHYSREVLETT.82.600
P407
P577
1999-01-01T00:00:00Z
1999-01-18T00:00:00Z