Organic molecules with excited-state intramolecular proton transfer (ESIPT) and thermally
activated delayed fluorescence (TADF) properties have great potential for realizing efficient …

Fe (III) complexes are receiving ever-increasing attention as spin crossover (SCO) systems
because they are usually air stable, as opposed to Fe (II) complexes, which are prone to …

Exploring the chemical space of a given ligand aiming to modulate its ligand field strength is
a versatile strategy for the fine-tuning of physical properties such as the transition …

In this work, a systematic study on how the ligand design in the anionic spin-crossover
system [Fe (OEt-L1-pH)(NCS) 3]− can be used to achieve a high degree of tuning of its …

Novel synthesis of 2, 5-bis [(1, 3-thiazol-2-ylmethyl) amino] methyl-1, 3, 4-oxadiazole
(LThiazole) is reported, along with the preparation of three new dinuclear Fe (II) complexes …

The interaction of hemoglobin represented by its active part deoxyhemoglobin with
antibiotics, including amoxicillin, cefepime, and penicillin G, is investigated using dispersion …

The interaction of deoxyhemoglobin with antipyretics, including aspirin, paracetamol, and
ibuprofen, is investigated using density functional theory with dispersion correction. The …

Due to their inherent technological applications as molecular level switches, Spin-Crossover
systems (SCO) are the focus of intense research both in chemistry. SCO molecules display …