Structures of cage, prism, and book isomers of water hexamer from broadband rotational spectroscopy.
about
Small-molecule Binding to the DNA Minor Groove Is Mediated by a Conserved Water ClusterBiochemical and structural investigation of two paralogous glycoside hydrolases from Zobellia galactanivorans: novel insights into the evolution, dimerization plasticity and catalytic mechanism of the GH117 familyConcerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.Water-water and water-solute interactions in microsolvated organic complexes.Hydrogen bond cooperativity and the three-dimensional structures of water nonamers and decamers.Communication: Frequency shifts of an intramolecular hydrogen bond as a measure of intermolecular hydrogen bond strengths.A general route to monoorganopnicogen(III) (M = Sb, Bi) compounds with a pincer (N,C,N) group and oxo ligands.IR mass-resolved spectroscopy of complexes without chromophore: cyclohexanol·(H2O)n, n = 1-3 and cyclohexanol dimer.Molecular hydration of propofol dimers in supersonic expansions: formation of active centre-like structures.Influence of dispersive forces on the final shape of a reverse micelle.Infrared spectra reveal box-like structures for a pentamer and hexamer of mixed carbon dioxide-acetylene clusters.Structure and torsional dynamics of the water octamer from THz laser spectroscopy near 215 μm.Flexibility unleashed in acyclic monoterpenes: conformational space of citronellal revealed by broadband rotational spectroscopy.Exploring water radiolysis in proton cancer therapy: Time-dependent, non-adiabatic simulations of H+ + (H2O)1-6.Six-site polarizable model of water based on the classical Drude oscillator.Exploring energy landscapes: from molecular to mesoscopic systems.A double stranded metal-organic assembly accommodating a pair of water trimers in the host cavity and catalysing Glaser coupling.Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions.Molecular Shape and the Hydrophobic Effect.Structural features of the carbon-sulfur chemical bond: a semi-experimental perspective.Binding Hydrated Anions with Hydrophobic Pockets.Revealing isomerism in sodium-water clusters: Photoionization spectra of Na(H2O)n (n = 2-90).Hydrogen bond breaking dynamics in the water pentamer: Terahertz VRT spectroscopy of a 20 μm libration.Water clusters adsorbed on polycyclic aromatic hydrocarbons: energetics and conformational dynamics.Hydrogen-bond cooperative effects in small cyclic water clusters as revealed by the interacting quantum atoms approach.Magic numbers in the solvation of the propofol dimer.Structures, energies, and bonding in the water heptamer.On the ground state calculation of a many-body system using a self-consistent basis and quasi-Monte Carlo: an application to water hexamer.Rotational spectroscopy meets theory.Hydrogen bonding in the ethanol-water dimer.Self-consistent phonons revisited. II. A general and efficient method for computing free energies and vibrational spectra of molecules and clusters.Chirality-dependent balance between hydrogen bonding and London dispersion in isolated (±)-1-indanol clusters.Hydrogen bond competition in the ethanol-methanol dimer.Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)n, n = 2-6, and several hexamer local minima at the CCSD(T) level of theory.Hydrogen-Bond Weakening through π Systems: Resonance-Impaired Hydrogen Bonds (RIHB).Structures and relative stabilities of ammonia clusters at different temperatures: DFT vs. ab initio.Structure of fenchone by broadband rotational spectroscopy.Hydrogen bond cooperativity and anticooperativity within the water hexamer.Examination of the hydrogen-bonding networks in small water clusters (n = 2-5, 13, 17) using absolutely localized molecular orbital energy decomposition analysis.Potential energy surface of fluoroxene: experiment and theory.
P2860
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P2860
Structures of cage, prism, and book isomers of water hexamer from broadband rotational spectroscopy.
description
2012 nî lūn-bûn
@nan
2012 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
name
Structures of cage, prism, and ...... dband rotational spectroscopy.
@ast
Structures of cage, prism, and ...... dband rotational spectroscopy.
@en
type
label
Structures of cage, prism, and ...... dband rotational spectroscopy.
@ast
Structures of cage, prism, and ...... dband rotational spectroscopy.
@en
prefLabel
Structures of cage, prism, and ...... dband rotational spectroscopy.
@ast
Structures of cage, prism, and ...... dband rotational spectroscopy.
@en
P2860
P50
P356
P1433
P1476
Structures of cage, prism, and ...... dband rotational spectroscopy.
@en
P2093
Matt T Muckle
Nathan A Seifert
P2860
P304
P356
10.1126/SCIENCE.1220574
P407
P577
2012-05-01T00:00:00Z