Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Jelle M. Boereboom"'
Autor:
Charlotte Vogt, Matteo Monai, Ellen B. Sterk, Jonas Palle, Angela E. M. Melcherts, Bart Zijlstra, Esther Groeneveld, Peter H. Berben, Jelle M. Boereboom, Emiel J. M. Hensen, Florian Meirer, Ivo A. W. Filot, Bert M. Weckhuysen
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-10 (2019)
Carbon dioxide is a desired feedstock for platform molecules, such as carbon monoxide and higher hydrocarbons, but needs improved catalysts. Here, the authors use a combined theoretical and experimental approach to tune the activity and selectivity o
Externí odkaz:
https://doaj.org/article/450d9c4d27154d0bb0e8e3fc2a1c8e8a
Publikováno v:
Journal of Chemical Theory and Computation
Nucleophilic addition onto a carbonyl moiety is strongly affected by solvent, and correctly simulating this solvent effect is often beyond the capability of single-scale quantum mechanical (QM) models. This work explores multiscale approaches for the
Publikováno v:
ChemPhysChem. 12:3157-3169
The resonance Raman (RR) spectra of different configurations of spheroidene are calculated by means of quantum chemical methods to investigate the nature of the cis configuration of this carotenoid molecule in the photosynthetic reaction center (RC)
Publikováno v:
ChemPhysChem. 12:3042-3042