相关论文: X-ray Emission Spectrum of Liquid Ethanol : Origin…

We compute the x-ray emission spectrum (XES) of liquid methanol, with the dynamical effects that result from the creation of the core hole included in a semiclassical way. Our method closely reproduces a fully quantum mechanical description…

We present a density-functional theory based molecular-dynamics study of the structural, dynamical, and electronic properties of liquid methanol under ambient conditions. The calculated radial distribution functions involving the oxygen and…

We have examined methanol emission from Orion KL with of the {\em Herschel}/HIFI instrument, and detected two methanol bands centered at 524 GHz and 1061 GHz. The 524 GHz methanol band (observed in HIFI band 1a) is dominated by the isolated…

The total scattering structure factors of pure liquid n-pentanol, pentanal, and 5 of their mixtures, as determined by high energy synchrotron X-ray diffraction experiments, are presented. For the interpretation of measured data, molecular…

Methanol-water liquid mixtures have been investigated by high-energy synchrotron X-ray and neutron diffraction at low temperatures. We are thus able to report the first complete sets of both X-ray and neutron weighted total scattering…

We have investigated the hydrogen-bonded structures in liquid methanol and a 7:3 mole fraction aqueous solution using classical Molecular Dynamics simulations at 298K and ambient pressure. We find that, in contrast to recent predictions…

Environmental molecular beam experiments are used to examine water interactions with liquid methanol films at temperatures from 170 K to 190 K. We find that water molecules with 0.32 eV incident kinetic energy are efficiently trapped by the…

The observation of non-perturbative harmonic emission in solids from ultrashort laser pulses [1] sparked a wave of studies [2,3] as a probe of charge carrier dynamics in solids under strong fields and a route to extreme ultraviolet (XUV)…

At low concentrations of methanol in ethanol-methanol binary system, the molecular interactions are seen to be uniquely complex. It is observed that the ethanol aggregates are not strictly hydrogen-bonded complexes; dispersion forces also…

We present 247-GHz molecular line observations of methanol (CH$_3$OH) toward sixteen massive star-forming regions, using the APEX telescope with an angular resolution of $25''$. The sample covers a range of evolutionary states, including…

Extensive molecular dynamics computer simulations have been conducted for ethanol-water liquid mixtures in the water-rich side of the composition range, with 10, 20 and 30 mol % of the alcohol, at temperatures between room temperature and…

Transport properties of liquid methanol and ethanol are predicted by molecular dynamics simulation. The molecular models for the alcohols are rigid, non-polarizable and of united-atom type. They were developed in preceding work using…

The electronic and nuclear dynamics in methanol, following 156~nm photoexcitation, are investigated by combining a detailed analysis of time-resolved photoelectron spectroscopy experiments with electronic structure calculations. The…

We make a comparative study of hard x-ray emission from 15 $\mu$m methanol microdroplets and a plain slab target of similar atomic composition at similar laser intensities. The hard X-ray yield from droplet plasmas is $\simeq$ 35 times more…

Temperature dependent hydrogen bond energetics and dynamical features, such as the diffusion coefficient and reorientational times, have been determined for ethanol-water mixtures with 10, 20 and 30 mol % of ethanol. Concerning pairwise…

The dependence of the proton-to-electron mass ratio, mu, on the local matter density was investigated using methanol emission in the dense dark cloud core L1498. Towards two different positions in L1498, five methanol transitions were…

Hard X-Ray bremsstrahlung continuum spectra, such as from solar flares, are commonly described in terms of power-law fits, either to the photon spectra themselves or to the electron spectra responsible for them. In applications various…

Liquid xenon based detectors have achieved great sensitivities in rare event searches. Precise knowledge of the scintillation and ionization responses of the medium is essential to correctly model different interaction types in the detector…

We examine the applicability of various model profiles for the liquid/vapor interface by X-ray reflectivities on water and ethanol and their mixtures at room temperature. Analysis of the X-ray reflecivities using various density profiles…

New X-ray and neutron diffraction experiments have been performed on ethanol-water mixtures as a function of decreasing temperature, so that such diffraction data are now available over the entire composition range. Extensive molecular…