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8 papers · 1 filter
Single crystals of DPPH grown from diethyl ether and carbon disulfide solutions - Crystal structures, IR, EPR and magnetization studies
Dijana Zilic, Damir Pajic, Marijana Juric +4
Single crystals of the free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) obtained from diethyl ether (ether) and carbon disulfide (CS2) were characterized by the X-ray diffraction,…
NMR and NQR parameters of ethanol crystal
M. Milinkovic, G. Bilalbegovic
Electric field gradients and chemical shielding tensors of the stable monoclinic crystal phase of ethanol are computed. The projector-augmented wave (PAW) and gauge-including proje…
Carbonyl sulphide under strong laser field: time-dependent density functional theory
G. Bilalbegovic
The first 52 fs of a time evolution of the electron density in OCS after an interaction with an intense sub 10 fs laser pulse are studied using the time-dependent density functiona…
EPR and magnetization studies on single crystals of a heterometallic (Cu^{II}} and Cr^{III}) complex: zero-field splitting determination
Nikolina Novosel, Dijana Žilić, Damir Pajić +5
Magnetic properties of single crystals of the heterometallic complex [Cu(bpy)][Cr(CO)]NO9HO (bpy = 2,2'-bipyridine) have been investigated. From t…
Synthesis and magnetic properties of NiFe_{2-x}Al_{x}O_{4} nanoparticles
A. T. Raghavender, Damir Pajic, Kreso Zadro +4
Nanocrystalline Al-doped nickel ferrite powders have been synthesized by sol-gel auto-ignition method and the effect of non-magnetic aluminum content on the structural and magnetic…
Density functional theory study of (OCS)2^-
G. Bilalbegovic
The structural and electronic properties of the carbonyl sulfide dimer anion are calculated using density functional theory within a pseudopotential method. Three geometries are op…