Zobrazeno 1 - 10
of 20
pro vyhledávání: '"Matthias Prall"'
Autor:
A. Constantinescu, Alexander Weymann, H. Immo Lehmann, Jürgen Debus, Christian Graeff, Robert Kaderka, Karin Sonnenberg, Thomas Haberer, Matthias Prall, Christoph Bert, Marco Durante, Henrik Hauswald, Julia Bauer, Douglas L. Packer, Sevil Korkmaz, Daniel Richter, Gábor Szabó, Hannah Prokesch
Publikováno v:
Biomedical Engineering / Biomedizinische Technik. 60
Hadron therapy has already proven to be successful in cancer therapy, and might be a noninvasive alternative for the ablation of cardiac arrhythmias in humans. We present a pilot experiment investigating acute effects of a 12C irradiation on the AV n
Publikováno v:
Angewandte Chemie. 115:5935-5938
Publikováno v:
The Journal of Organic Chemistry. 67:1453-1461
Aromaticity criteria (magnetic susceptibility exaltations, nucleus independent chemical shifts (NICS), and aromatic stabilization energy (ASE) evaluations) for enediyne and enyne-allene cyclizations evaluated at (UBS)-BLYP/6-31G* all agree that the d
Publikováno v:
Chemistry - A European Journal. 7:4386-4394
The thermal cycloisomerization of both parent and benzannelated hexa-1,3-dien-5-yne, as well as of carbocyclic 1,3-dien-5-ynes (ring size 7-14), was investigated by using pure density functional theory (DFT) of Becke, Lee, Yang, and Parr (BLYP) in co
Publikováno v:
The Journal of Physical Chemistry A. 105:9265-9274
Apart from the well-known Bergman, Myers−Saito, and Schmittel ring closure reactions of parent enediyne (4) and enyne−allene (3), novel cyclization modes were identified using density functional (DFT) and coupled-cluster methods. The geometries o
Publikováno v:
Journal of Computational Chemistry. 22:1605-1614
The effects of several substituents (BH2, BF2, AlH2, CH3, C6H5, CN, COCH3, CF3, SiH3, NH2, NH3+, NO2, PH2, OH, OH2+, SH, F, Cl, Br) on the Bergman cyclization of (Z)-1,5-hexadiyne-3-ene (enediyne, 3) were investigated at the Becke–Lee–Yang–Parr
Publikováno v:
Physical Chemistry Chemical Physics. 2:2239-2244
The kinetic stability of SH4 was investigated theoretically with the coupled cluster ansatz. The two possible modes of decomposition into SH2 and H2 through either a C2v or a C1 transition structure (TS) were investigated using intrinsic reaction coo
Autor:
Matthias Prall, Peter R. Schreiner
Publikováno v:
Journal of the American Chemical Society. 121:8615-8627
The Myers−Saito and the C2−C6 cyclization (“Schmittel” cyclization) of the parent enyne−allene (Z)-1,2,4-heptatriene-6-yne were investigated with pure density functional theory (DFT) methods and were compared to coupled cluster [CCSD(T)] an
Autor:
Burkhard Koenig, Wolfgang Pitsch, Peter R. Schreiner, Michael W. Klein, Rudolf Vasold, Matthias Prall
Publikováno v:
ChemInform. 32
Publikováno v:
ChemInform. 33