Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Qin-Qin Tan"'
Publikováno v:
Magnetic Resonance in Chemistry. 56:196-209
The local structures for various Rh2+ centers in AgCl are theoretically studied using density functional theory (DFT) with periodic CP2K program. Through geometry optimizing, the stable ground states with minimal energies and electronic structures ar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::90ff0d014466512f23f7d7d3b23d5686
https://doi.org/10.1002/mrc.4685
https://doi.org/10.1002/mrc.4685
Publikováno v:
Modern Physics Letters B. 32:1850305
Defect structures and spin Hamiltonian parameters (SHPs) and the corresponding composition dependencies are quantitatively analyzed for divalent copper in ([Formula: see text])Bi2O3–[Formula: see text]Li2O–30(ZnO–B2O3) ([Formula: see text] mol.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a34d9fad543410c7b84462c52a848ae1
https://doi.org/10.1142/s0217984918503050
https://doi.org/10.1142/s0217984918503050
Publikováno v:
Acta Crystallographica Section E, Vol 67, Iss 4, Pp o758-o758 (2011)
The molecule of the title compound, C17H10F4O, is roughly planar, with a dihedral angle of 5.59 (14)° between the two phenyl rings. The molecule has an E conformation with respect to the olefinic bonds. In the crystal, molecules are connected throug
Externí odkaz:
https://doaj.org/article/bb04ba5f81fb44859994a4d4f446b833