Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.
about
Communication: Physical origins of ionization potential shifts in mixed carboxylic acids and water complexes.Structure and torsional dynamics of the water octamer from THz laser spectroscopy near 215 μm.Infrared spectroscopy of the ν2 band of the water monomer and small water clusters (H2O)n=2,3,4 in helium droplets.Structural and dynamic characteristics in monolayer square ice.Advances in spectroscopy and dynamics of small and medium sized molecules and clusters.Dissection of H-bonding interactions in a glycolic acid-water dimer.Strong Short-Range Cooperativity in Hydrogen-Bond Chains.Perspective: Structure and dynamics of water at surfaces probed by scanning tunneling microscopy and spectroscopy.Mechanical measurement of hydrogen bonded host-guest systems under non-equilibrium, near-physiological conditionsHydrogen bond breaking dynamics in the water pentamer: Terahertz VRT spectroscopy of a 20 μm libration.Hydrogen bond network rearrangement dynamics in water clusters: Effects of intermolecular vibrational excitation on tunneling rates.Toward chemical accuracy in the description of ion-water interactions through many-body representations. Alkali-water dimer potential energy surfaces.Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function.Kinetic isotope effects and how to describe them.Full- and reduced-dimensionality instanton calculations of the tunnelling splitting in the formic acid dimer.Comparison of classical reaction paths and tunneling paths studied with the semiclassical instanton theory.Towards a dissociative SPC-like water model - probing the impact of intramolecular Coulombic contributions.Unravelling hydrogen bonding interactions of tryptamine-water dimer from neutral to cation.The long-range convergence of the energetic properties of the water monomer in bulk water at room temperature.Quantitative probing of subtle interactions among H-bonds in alpha hydroxy carboxylic acid complexes.Rotational spectra of two six-membered heterocyclic N-methyl-piperidinol compounds: Conformations by OH rotation, N-methyl inversion, and ring puckering.A Direct Link from the Gas to the Condensed Phase: A Rotational Spectroscopic Study of 2,2,2-Trifluoroethanol Trimers.Hydrogen Peroxide Insular Dodecameric and Pentameric Clusters in Peroxosolvate Structures.Towards the design of anti-amyloid short peptide helices.Effects of tunnelling and asymmetry for system-bath models of electron transfer.Collective Molecular Superrotation: A Model for Extremely Flexible Molecules Applied to Protonated Methane.Classification of hydrogen bond flips in small water polyhedra applied to concerted proton tunneling.Observation of the thermal influenced quantum behaviour of water near a solid interface.Quantum dynamics in the smallest water droplet
P2860
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P2860
Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.
description
2016 nî lūn-bûn
@nan
2016 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2016 թվականի մարտին հրատարակված գիտական հոդված
@hy
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
name
Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.
@ast
Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.
@en
type
label
Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.
@ast
Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.
@en
prefLabel
Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.
@ast
Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.
@en
P2093
P2860
P50
P356
P1433
P1476
Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.
@en
P2093
Adam A Reid
David J Wales
Stuart C Althorpe
P2860
P304
P356
10.1126/SCIENCE.AAE0012
P407
P50
P577
2016-03-01T00:00:00Z