Density functional theory (DFT) calculations have been conducted to investigate the
mechanism of cobalt (II) tetraamino phthalocyanine (CoPc-NH 2) catalyzed electro-reduction …

Graphene materials offer attractive possibilities in spintronics due to their unique atomic and
electronic structures, which is in contrast to their limited applications in the design of …

C6H5 (CH2) n OH–CO2 complexes have been investigated using rotational spectroscopy
(n= 0–2) complemented by quantum chemical calculations (n= 0–4), which implies that the …

Magnetic molecules on ferromagnetic metallic substrates have been widely explored to
exploit the potential for molecular magnetic storage and spintronics applications. Recent …

A dominating F··· π* aromatic interaction is found to govern the benzaldehyde···
tetrafluoromethane complex, as revealed by this rotational spectroscopic investigation …

A family of eight compounds of the general formula [(C 8 H 9 NO) 2 MX 2] or [(C 8 H 9 NO) 2
(H 2 O) 2 MX2],(M= Ni, Co, Cu, Zn; X= Cl, Br) has been prepared and the compounds …

Co-Fe Prussian blue analog (PBA) complex possesses various spin configurations and
discrete energy levels with different types of spin localizations, making it suitable for the …

We perform a density functional theory study of the effects of oxygen adsorption on the
structural and electronic properties of Gr/Co (0001) and Gr/Co/Ir (111) interfaces. In both …

Metallodithiolates have been used as a unique class of ligands in organometallic chemistry.
They can behave either as mono-or bidentate ligands, binding to various metals via their …