Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Wolny, Juliusz Adam"'
Autor:
Wolny, Juliusz Adam, Paulsen, Hauke, Winkler, Heiner, Trautwein, Alfred Xaver, Tuchagues, Jean-Pierre
Publikováno v:
Hyperfine Interactions, 2006, 169, 1389-1392
Density functional methods have been applied to calculate the quadrupole splitting of a series of iron(II) spin crossover complexes. Experimental and calculated values are in reasonable agreement. In one case spin-orbit coupling is necessary to expla
Externí odkaz:
http://arxiv.org/abs/1206.3036
Autor:
Barone, Giampaolo, Böttger, Lars H., Wolny, Juliusz Adam, Paulsen, Hauke, Trautwein, Alfred Xaver, Silvestri, Arturo, Sergueev, I, LaManna, Gianfranco
Publikováno v:
Hyperfine Interactions, 2006, 165, 299-302
Nuclear inelastic scattering (NIS) of synchrotron radiation has been used to investigate the dynamics of tin ions chelated by DNA. Theoretical NIS spectra have been simulated with the help of density functional theory (DFT) calculations using 12 mode
Externí odkaz:
http://arxiv.org/abs/1206.2931
Autor:
Paulsen, Hauke, Wegner, Patrick, Winkler, Heiner, Wolny, Juliusz Adam, Böttger, Lars H., Trautwein, Alfred Xaver, Schmidt, Christian, Schünemann, Volker, Barone, Giampaolo, Silvestri, Arturo, La Manna, Gianfranco, Chumakov, Aleksandr I., Sergueev, I., Rüffer, Rudolf
Publikováno v:
Hyperfine Interactions, 2005, 165, 17-24
Nuclear inelastic scattering of synchrotron radiation has been used now since 10 years as a tool for vibrational spectroscopy. This method has turned out especially useful in case of large molecules that contain a M\"ossbauer active metal center. Rec
Externí odkaz:
http://arxiv.org/abs/1206.2760
Publikováno v:
Monatshefte fuer Chemie, 2005, 136, 1107-1118
Density functional theory (DFT) calculations have been performed for the high-spin (HS) and low-spin (LS) isomers of a series of iron(II) spin crossover complexes with nitrogen ligands. The calculated charge densities have been analyzed in the framew
Externí odkaz:
http://arxiv.org/abs/1206.2136
Autor:
Sadashivaiah, Sakshath, Jenni, Kevin, Scherthan, Lena, Schäfer, Bernhard, Herlitschke, Marcus, Würtz, Peter, Strohm, Cornelius, Sergeev, Ilya, Wille, Hans-Christian, Röhlsberger, Ralf, Wolny, Juliusz Adam, Ruben, Mario, Schünemann, Volker
Publikováno v:
Hyperfine Interactions; 12/3/2019, Vol. 241 Issue 1, pN.PAG-N.PAG, 1p
