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pro vyhledávání: '"Helmut Schwarz"'
Autor:
Helmut Schwarz
Publikováno v:
CHIMIA, Vol 55, Iss 1-2 (2001)
On Monday, November 13, 2000, the rector, Prof. Dr. K. Osterwalder, presented the Prelog Medal 2000 to Prof. Drs. h.c. Helmut Schwarz, Technische Universität Berlin, Institut für Organische Chemie. The title of the lecture that followed was 'Elemen
Externí odkaz:
https://doaj.org/article/ff15c7ca36b440adb56bd278104551fd
Publikováno v:
Angewandte Chemie (International Ed. in English)
Presented here is that isolated, long‐lived electronic states of ReC+ serve as the root cause for distinctly different reactivities of this diatomic ion in the thermal activation of dihydrogen. Detailed high‐level quantum chemical calculations su
Publikováno v:
Angewandte Chemie. 132:9456-9462
Publikováno v:
Angewandte Chemie International Edition. 59:12308-12314
[V2 O]+ remains "invisible" in the thermal gas-phase reaction of bare [V2 ]+ with CO2 giving rise to [V2 O2 ]+ ; this is because the [V2 O]+ intermediate is being consumed more than 230 times faster than it is generated. However, the fleeting existen
Autor:
Ya-Ke Li, Sreekanta Debnath, Helmut Schwarz, Maria Schlangen, Knut R. Asmis, Wieland Schöllkopf
Publikováno v:
Angewandte Chemie. 131:19044-19048
The gas-phase reaction of the heteronuclear oxide cluster [VPO4 ].+ with C2 H4 is studied under multiple collision conditions at 150 K using cryogenic ion-trap vibrational spectroscopy combined with electronic structure calculations. The exclusive fo
Publikováno v:
Proceedings of the National Academy of Sciences. 116:21416-21420
Significance Catalysts accelerate chemical reactions by opening energetically favorable pathways. Although catalytic processes are ubiquitous, the actual catalytically active species often remain elusive due to their very nature. The interaction betw
Autor:
Helmut Schwarz, Bretislav Friedrich
Publikováno v:
Theoretical Chemistry Accounts. 140
Publikováno v:
Chemistry – A European Journal. 25:12940-12945
The reactivity of the cationic metal-carbon cluster FeC4+ towards methane has been studied experimentally using Fourier-transform ion cyclotron resonance mass spectrometry and computationally by high-level quantum chemical calculations. At room tempe
Publikováno v:
ChemPhysChem. 20:1812-1821
The mechanisms of the thermal reactions of the two iconic magnesium oxide cations MgO.+ and Mg2 O2.+ with methane have been re-evaluated at the CCSD(T)/CBS//CCSD/def2-TZVP level of theory. For the reaction of MgO.+ with CH4 , only the classical hydro
Publikováno v:
Chemistry – A European Journal. 25:3550-3559
Thermal gas-phase reactions of the ruthenium-oxide clusters [RuOx ]+ (x=1-3) with methane and dihydrogen have been explored by using FT-ICR mass spectrometry complemented by high-level quantum chemical calculations. For methane activation, as compare