Ultrafast Nonadiabatic Fragmentation Dynamics of Doubly Charged Uracil in a Gas Phase
Graph Chatbot
Chat with Graph Search
Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.
The structural changes due to formation of electronic bubbles in solid D2 are studied by fluorescence, fluorescence-excitation, and fluorescence-depletion spectroscopy of the lowest Rydberg state, A 2S+(3ss), of the NO impurity. The A X band is strongly bl ...
Recently we reported on the synthesis and characterization of a series of very weakly coordinating anions (WCA's) of type Al(OR)4- (R=poly or perfluorinated aliph. alkoxide). These anions produce "Pseudo Gas Phase Conditions" in the solid state that allo ...
The authors present a hybrid Car-Parrinello quantum mech./mol. mech. (QM/MM) approach that is capable of treating the dynamics of mol. systems in electronically excited states in complex environments. The potential energy surface in the excited state is de ...
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 ...
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, ...
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 ...
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 ...
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 ...
Gas phase methylation of catechol by methanol over modified gamma-alumina catalysts is studied experimentally. The catalyst composition and the reaction conditions are optimized to attain the highest selectivity towards 3-methylcatechol (C-methylation) or ...
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 ...
