16 citations · 48 across the 7 of their papers we have counts for
8 papers · 1 filter
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…
Spatial Separation of the Conformers of Methyl Vinyl Ketone
Jia Wang, Ardita Kilaj, Lanhai He +3
Methyl vinyl ketone (CHO) is a volatile, labile organic compound of importance in atmospheric chemistry. We prepared a molecular beam of methyl vinyl ketone with a rotation…
Quantum-chemistry-aided identification, synthesis and experimental validation of model systems for conformationally controlled reaction studies: Separation of the conformers of 2,3-dibromobuta-1,3-diene in the gas phase
Ardita Kilaj, Hong Gao, Diana Tahchieva +6
The Diels-Alder cycloaddition, in which a diene reacts with a dienophile to form a cyclic compound, counts among the most important tools in organic synthesis. Achieving a precise…
Long-range vs. short-range effects in cold molecular ion-neutral collisions: Charge exchange of Rb with N and O
Alexander D. Dörfler, Pascal Eberle, Debasish Koner +3
We report a study of cold charge-transfer (CT) collisions of Rb atoms with N and O ions in the mK regime using a dynamic ion-neutral hybrid trapping experiment. State-…
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…
Long-term trapping of cold polar molecules
Dominik Haas, Claudio von Planta, Thomas Kierspel +2
We demonstrate the long-term ( 1 minute) trapping of Stark-decelerated OH radicals in their state in a permanent magnetic trap. T…