Resonance Energy Transfer Relates the Gas-Phase Structure and Pharmacological Activity of Opioid Peptides
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V substituted phosphomolybdic acids could hydroxylate benzene with nearly 100% selectivity at appreciable conversion levels in the presence of oxidizing agents like H2O2 and AcOOH. There appears to be a correlation, for the liq. phase, between phenol yield ...
Using a density functional approach, we study structural and magnetic properties of small Fe-n clusters (nless than or equal to8) deposited on a MgO(100) substrate. Upon deposition, the clusters closely preserve their gas-phase structure. The magnetic mome ...
The deprotonation energies of benzene, chlorobenzene, all di-, tri-, tetrachlorobenzenes, and pentachlorobenzene have been detd. in the gas phase using a Fourier transform ion cyclotron resonance mass spectrometer. The values measured differ only slightly, ...
The authors describe a two-dimensional high-resoln. solid-state NMR methodol. for correlating the dynamics of mol. rearrangements around the crit. points of equil. phase transitions in mol. solids. It combines the techniques of temp.-jump and two-dimension ...
The interface between solid surfaces and cavities filled with gaseous 131Xe can be probed by multiple-quantum filtered NMR. Physisorbed 131Xe is usually not directly observable by NMR spectroscopy, but information can be transferred into the gas phase thro ...
Porous semiconducting ceramics deposited on a porous metallic film acting both as catalyst and electronic collector gave large photocurrents and considerably enhanced electrooxidation currents when irradiated in the presence of small amounts of alcohol vap ...
In view of the uncertainty of the origin of the secular increase of N2O, we studied heterogeneous processes that contribute to formation of N2O in an environment that comes as close as possible to exhaust conditions contg. NO and SO2, among other constitue ...
Thick GaN layers grown by HVPE on different starting layers were examined. The resulting layers were found to be homogeneous with good crystalline and surface quality over the whole 2-inch wafer, strongly depending on the starting layers and gas phase comp ...
The adsorption of MeOH on the (110) surface of g-alumina was studied using both ab initio and d. functional theory quantum chem. methods. A [Al3O9H10]+ cluster model comprising one tetrahedral and 2 octahedral Al cations were used to describe the surface a ...
An aq. soln. of peroxynitrous acid has been studied using first-principles mol. dynamics simulations based on d. functional theory. The relative Helmholtz energies of different conformers have been detd. via thermodn. integration with constraints. At contr ...