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Diabatization of the molecular Hamiltonian is a standard approach to remove the singularities of nonadiabatic couplings at conical intersections of adiabatic potential energy surfaces. In general, it is impossible to eliminate the nonadiabatic couplings en ...
Understanding the mechanisms behind chemical transformations is key to developing improved catalytic systems. To this end, operando spectroscopy has contributed significantly to the advancement of our molecular view of many reactions at the heart of the ch ...
Nitrous oxide is a potential diazo transfer reagent, but its applications in organic chemistry are scarce. Here, we show that triazolopyridines and triazoloquinolines are formed in the reactions of metallated 2-alkylpyridines or 2-alkylquinolines with N2O. ...
Cu-exchanged small-pore SSZ-13 catalysts have found wide use for the selective catalytic reduction (SCR) of nitrogen oxides from automotive exhaust gases. The transient working environment of the Cu-SSZ-13 catalyst during NH3-SCR requires studying the rate ...
With the advent of X-ray free-electron lasers (XFELs) time-resolved X-ray spectroscopic techniques have advanced to the femtosecond regime. These are element selective techniques which offer unique insight into the electronic and chemical environment and d ...
Free-electron lasers provide a source of x-ray pulses short enough and intense enough to drive nonlinearities in molecular systems. Impulsive interactions driven by these x-ray pulses provide a way to create and probe valence electron motions with high tem ...
Nitrogen oxides (NOx) and ammonia (NH3) from anthropogenic and biogenic emissions are central contributors to particulate matter (PM) concentrations worldwide. The response of PM to changes in the emissions of both compounds is typically studied on a case- ...
This study investigates the major chemical components, particle-bound water content, acidity (pH), and major potential sources of PM2.5 in major cities (Belluno, Conegliano, Vicenza, Mestre, Padua, and Rovigo) in the eastern end of the Po Valley. The measu ...
Emissions of ozone precursors have been regulated in Europe since around 1990 with air quality control measures, which resulted in reductions of nitrogen oxides and volatile organic compounds concentrations. In order to understand how these measures have a ...