Novel metal (II) complexes with pyrimidine derivative ligand: synthesis, multi-spectroscopic, DNA binding/cleavage, molecular docking with DNA/BSA, and …

GS Senthilkumar, M Sankarganesh… - Monatshefte für Chemie …, 2021 - Springer
New series of metal (II) complexes of [Mn (L)(OAc)],[Co (L)(OAc)],[Ni (L)(OAc)],[Cu (L)(OAc)],
and [Zn (L)(OAc)], where HL is Schiff base ligand as 2-[(4, 6-dimethylpyrimidin-2-ylimino) …

[HTML][HTML] Comprehensive analysis of the electronic, thermodynamic, and spectroscopic properties of a Cu (II)-based complex with 1, 10-phenanthroline and L …

MVS Junior, JGO Neto, WO Pereira, JAO Rodrigues… - Heliyon, 2024 - cell.com
This study reports additional information's of geometric, electronic, thermodynamic, and
vibrational properties of a Cu (II) complex with 1, 10-phenanthroline and L-glutamine …

Synthesis, electronic and vibrational properties, solvation effects, ADME and cytotoxic assay of aqua-(1, 10-phenanthroline)-tyrosinato-copper (II) nitrate dihydrate …

WO Pereira, JG Oliveira Neto, JR Viana… - Journal of Materials …, 2024 - Springer
The present work reports the antitumor activity and a comprehensive study of the Cu (II)
complex with 1, 10-phenanthroline and l-tyrosine, synthesized by slow solvent evaporation …

Density Functional Theory Study of Structural Evolution, Relative Stability, and Electronic Properties of SnnAln (n = 2–12) Clusters

W Zhang, H Zhang, Y Li, X Chen… - physica status solidi …, 2024 - Wiley Online Library
The ground‐state structure, average binding energy (Eb), fragmentation energies (ΔE),
second‐order difference energy (Δ2E), gap between the highest occupied molecular orbital …

Síntese, Caracterização, Estudo Computacional e Atividade Biológica do Complexo Binuclear de Cobre (II) com Fenantrolina e Ácido Maleico

JLF SIMPLICIO - 2024 - tedebc.ufma.br
The aim of this work was to synthesize a crystal of a binuclear copper (II) complex with the
ligands 1, 10-phenanthroline (Phen) and maleic acid (Mal)[Cu2 (Fen) 2 (Mal) 2] 2H2O• …

7-Azaindole-Pyridine Linked 1, 2, 3-Triazole Hybrid For Selective Cr (Iii) and Ce (Iii) Ion Sensing

K Sharma, B Lal, S Kumar, RK Tittal, G Singh… - Available at SSRN … - papers.ssrn.com
A unfamiliar 7-azaindole-pyridine linked 1, 2, 3-triazole hybrid was produced by a CuAAC
process. This chemical displayed significant fluorescence quenching in the presence of Cr …

[PDF][PDF] Acetylacetone as a ligand in gas-phase extraction of gold and iron

GD Wood - 2022 - wiredspace.wits.ac.za
Gas-phase extractions using acetylacetone as a ligand are reported to be a promising
alternative method–particularly in gold extraction as an alternative to cyanide leaching …

Thermoelectric properties of platinum metal complexes

MK Al-Khaykanee, FA Al-Temimei… - AIP Conference …, 2019 - pubs.aip.org
DFT method was used to investigate the conductivities and thermoelectric properties for
platinum metal complexes. The results were showed the type of ligands in the molecular …

[PDF][PDF] Electronic Structure of Suggested Nickel Metal Complexes: DFT Calculations

AS Hussein, ZG Abdulkareem, HI Abbood - NeuroQuantology, 2020 - researchgate.net
SDD bases were used to maintain relaxation of the proposed nickel-metal complexes. The
DFT method was used in the Gaussian software package. The results showed that the …

[PDF][PDF] Electronic Transitions and Photovoltaic Properties of New Compounds as Organic Dye Sensitizers for Solar Cell

EA Salman, HI Abbood - International Journal of Advanced …, 2018 - academia.edu
This work deals with electronic and photovoltaic properties of new compounds as organic
dye sensitized for solar cell. The ground state calculations are carried out by employing the …