Dynamics of UV-excited, protonated peptides in the gas phase
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The dynamics and bonding of the complex hydride LiBH4 have been investigated by vibrational spectroscopy and density functional theory (DFT). The combination of infrared, Raman, and inelastic neutron-scattering (INS) spectroscopies on hydrided and deuterat ...
Tryptophan is commonly used to study protein structure and dynamics, such as protein folding, as a donor in fluorescence resonant energy transfer (FRET) studies. By using ultra-broadband ultrafast two-dimensional (2D) spectroscopy in the ultraviolet (UV) a ...
American Association for the Advancement of Science2013
A laser spectroscopic study on the structure and dynamics of cold host–guest inclusion complexes of crown ethers (CEs) with various neutral and ionic species in the gas phase is presented. The complexes with neutral guest species are formed by using supers ...
The dissociative chemisorption of CH4 on Pt(111) was studied using quantum state-resolved methods at a surface temperature (Ts) of 150 K where the nascent reaction products CH3(ads) and H(ads) are stable and accumulate on the surface. Most previous experim ...
Composites based on polydiphenylamine (PDPA) doped with heteropolyanions of H3PW12O40 and single-walled carbon nanotubes (SWNTs) were prepared by electrochemical polymerization of diphenylamine (DPA) on carbon nanotube films deposited onto Pt electrodes. H ...
Slurries are often used in chemical and pharmaceutical manufacturing processes but present challenging on-line measurement and monitoring problems. In this paper, a novel multivariate kinetic modeling application is described that provides calibration-free ...
Swirling jets and vortices can both be unstable to the centrifugal instability but with a different wavenumber selection: the most unstable perturbations for swirling jets in inviscid fluids have an infinite azimuthal wavenumber, whereas, for vortices, the ...
Excitation spectra up to the ionization threshold are reported for barium atoms located on the surface of helium nanodroplets. For states with low principal quantum number, the resonances are substantially broadened and shifted towards higher energy with r ...
An integrated computational approach built on quantum mechanical (QM) methods, purposely tailored inter-and intra-molecular force fields and continuum solvent models combined with time-independent and timedependent schemes to account for nuclear motion eff ...
Time-resolved photoelectron spectroscopy can obtain detailed information about the dynamics of a chemical process on the femtosecond timescale. The resulting signal from such detailed experiments is often difficult to analyze and therefore theoretical calc ...
