Autor der Publikation

Evaluation of bonding, electron affinity, and optical properties of M@C28 (M = Zr, Hf, Th, and U): Role of d- and f-orbitals in endohedral fullerenes from relativistic DFT calculations.

, und . Journal of Computational Chemistry, 38 (1): 44-50 (2017)

Bitte wählen Sie eine Person um die Publikation zuzuordnen

Um zwischen Personen mit demselben Namen zu unterscheiden, wird der akademische Grad und der Titel einer wichtigen Publikation angezeigt. Zudem lassen sich über den Button neben dem Namen einige der Person bereits zugeordnete Publikationen anzeigen.

 

Weitere Publikationen von Autoren mit dem selben Namen

On the formation of smaller p-block endohedral fullerenes: Bonding analysis in the E@C20 (E = Si, Ge, Sn, Pb) series from relativistic DFT calculations., und . Journal of Computational Chemistry, 38 (19): 1661-1667 (2017)Evaluation of bonding, electron affinity, and optical properties of M@C28 (M = Zr, Hf, Th, and U): Role of d- and f-orbitals in endohedral fullerenes from relativistic DFT calculations., und . Journal of Computational Chemistry, 38 (1): 44-50 (2017)termediate Silver Doping of Au25(SR)18 : Variation of Electronic, Optical, and Chiroptical Properties along Au25-xAgx(SH)18- (x = 0-12) Stoichiometry from DFT Calculations, und . Inorganic chemistry, 62 (18): 7079-7086 (2023)Canonical orbital contributions to the magnetic fields induced by global and local diatropic and paratropic ring currents., , , , und . Journal of Computational Chemistry, 38 (30): 2594-2604 (2017)Tellurium(0) as a Ligand: Synthesis and Characterization of 2-Pyridyltellurolates of Platinum(II) and Structures of [Pt2-Te-3-(R)C5H3N2Te(PR'3)] (R = H or Me), , , , , , und . Inorganic Chemistry, 49 (9): 4179--4185 (2010)Oxidative perhydroxylation of [closo-B12H12]2- to the stable inorganic cluster redox system [B12(OH)12]2-/·-: Experiment and theory, , , , , , , , , und . Chemistry - A European Journal, 16 (37): 11242-11245, S11242/1-S11242/8 (2010)Oxidative perhydroxylation of [closo-B12H12]2- to the stable inorganic cluster redox system [B12(OH)12](2-/*-): Experiment and theory, , , , , , , , , und . Chemistry (Weinheim an der Bergstrasse, Germany), 16 (37): 11242--11245 (2010)