Exploring the effect of external dopants on the electride characteristics of bimetallic sandwich complexes based on the B 4 N 4 H 8 ligand, M 2 (B 4 N 4 H 8) 2 Ca 2 (M …
Bimetallic sandwich complexes based on the borazocine (B4N4H8) ligand have been
studied using density functional theory (DFT). The studied Ca–Ca covalent bond length …
studied using density functional theory (DFT). The studied Ca–Ca covalent bond length …
Improving the Efficiency of Luminescent Zn (II)‐Modified N‐Doped GOQD Nanomaterials in Parkinson's Disease Treatment: A Theoretical Mechanistic Framework …
S Biswas, T Chowdhury, S Banerjee… - Chemistry–An Asian …, 2024 - Wiley Online Library
Levodopa, a widely prescribed drug in Parkinson's disease treatment, stands as the
foremost prodrug of dopamine. An affordable self‐testing kit is utilized to monitor levodopa …
foremost prodrug of dopamine. An affordable self‐testing kit is utilized to monitor levodopa …
A comparative study of electronic structure, adsorption properties, and optical responses of furan and tetrahydrofuran adsorbed pristine, Al and Ga doped B12X12 (X …
Removing pollutants like furan (F) and tetrahydrofuran (THF) from the environment is
challenging, and adsorption can efficiently remove pollutants. Fullerene like inorganic …
challenging, and adsorption can efficiently remove pollutants. Fullerene like inorganic …
Possible NLO response and electrical/charge transfer capabilities of natural anthraquinones as p-type organic semiconductors: a DFT approach
PUN Krishna, K Muraleedharan - Journal of Molecular Modeling, 2024 - Springer
Abstract Context Organic semiconductors (OSCs) have attracted a great deal of interest in
recent days. There are various types of OSCs, among which small molecules have various …
recent days. There are various types of OSCs, among which small molecules have various …
Unveiling the structural properties, spectral information, scavenging mechanism, and NLO responses of 2-(4-Hydroxyphenyl) Ethyl isothiocyanate: A theoretical insight
S Thiruvangoth, MS Thayyil, NK PU, K Muraleedharan - Next Research, 2024 - Elsevier
Theoretical analysis has been conducted on the radical scavenging activity and NLO
characteristics of 2-(4-hydroxyphenyl) ethyl isothiocyanate, a promising phytochemical …
characteristics of 2-(4-hydroxyphenyl) ethyl isothiocyanate, a promising phytochemical …