16 citations · 48 across the 7 of their papers we have counts for
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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…
From megahertz to terahertz qubits encoded in molecular ions: theoretical analysis of dipole-forbidden spectroscopic transitions in N
Kaveh Najafian, Ziv Meir, Stefan Willitsch
Recent advances in quantum technologies have enabled the precise control of single trapped molecules on the quantum level. Exploring the scope of these new technologies, we studied…
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…