130 citations · 172 across the 4 of their papers we have counts for
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Conformer-specific polar cycloaddition of dibromobutadiene with trapped propene ions
Ardita Kilaj, Jia Wang, Patrik Stranak +6
Diels-Alder cycloadditions are efficient routes for the synthesis of cyclic organic compounds. There has been a long-standing discussion whether these reactions proceed via stepwis…
Reactive atomistic simulations of Diels-Alder-type reactions: Conformational and dynamic effects in the polar cycloaddition of 2,3-dibromobutadiene radical ions with maleic anhydride
Uxia Rivero, Haydar Taylan Turan, Markus Meuwly +1
The kinetics, dynamics and conformational specificities for the ionic Diels-Alder reaction (polar cycloaddition) of maleic anhydride with 2,3-dibromobutadiene radical ions have bee…
Reactive Atomistic Simulations of Diels-Alder Reactions: the Importance of Molecular Rotations
Uxía Rivero, Oliver T. Unke, Markus Meuwly +1
The Diels-Alder reaction between 2,3-dibromo-1,3-butadiene and maleic anhydride has been studied by means of multisurface adiabatic reactive molecular dynamics and the PhysNet neur…
Observation of different reactivities of para- and ortho-water towards cold diazenylium ions
Ardita Kilaj, Hong Gao, Daniel Rösch +3
Water, HO, is one of the fundamental molecules in chemistry, biology and astrophysics. It exists as two distinct nuclear-spin isomers, para- and ortho-water, which do not inter…