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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 ...
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 ...
Lifetime studies of the NO A2S+ (v = 0) Rydberg fluorescence in rare gas matrixes are reported. The fluorescence stems from two types of sites, red and main. The red site fluorescence shows a lifetime lengthening of 25% in Kr matrixes and 100% in Xe matrix ...
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 ...
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 ...
Photodissocn. of H2O in Xe matrixes was investigated by excitation in the first continuum (~A1B1) by using dispersed synchrotron radiation. The dissocn. threshold near 6.4 eV corresponds to a barrier of .apprx.1.3 eV due to repulsive H-Xe pair interactions ...
D. effects and N2 co-doping of Kr solids doped with NO allow continuous tuning of the NO Rydberg state energies in a range 0.35 to 0.68 eV blue of the gas phase. This property is exploited to control the vibronic configuration mixing between the Rydberg C2 ...
The absorption spectra of HCl in rare gas matrixes were recorded in the 1st continuum (A 1P->X 1S+) region in Kr and Xe matrixes and up to 100 nm in Ar matrixes. Concn. and temp. effects were used to distinguish between absorption from monomers and that fr ...
