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Synthesis, crystal structure, DNA interaction, DFT analysis and molecular docking studies of copper (II) complexes with 1-methyl-l-tryptophan and phenanthroline units
S Baskaran, MM Krishnan, MN Arumugham… - Journal of Molecular …, 2021 - Elsevier
Three new mixed-ligand copper (II) complexes [CuL (neocup) H 2 O] NO 3· 2· 5H 2 O
(1),[CuL (bathoph) H 2 O] NO 3· 2· 5H 2 O (2) and [CuL (bathocup) H 2 O] NO 3· 2· 5H 2 O …
(1),[CuL (bathoph) H 2 O] NO 3· 2· 5H 2 O (2) and [CuL (bathocup) H 2 O] NO 3· 2· 5H 2 O …
Synthesis, characterization, DNA interaction, antimicrobial activity, DFT analysis and molecular docking studies of copper (II) complex with triazine and neocuproine
V Vinayagam, S Prabu, S Rajalakshmi… - Journal of Molecular …, 2023 - Elsevier
In this paper, a new copper (II) complex with neocuproine and triazine has been synthesized
and characterised. In the complex [Cu (Neocup)(Triazine) H 2 O](NO 3) 2 (where neocup= 2 …
and characterised. In the complex [Cu (Neocup)(Triazine) H 2 O](NO 3) 2 (where neocup= 2 …
Transition metal atoms grafted on the nanodiamonds surface: Identification and guest–host spin–spin interactions
ID Gridnev, VY Osipov - Mendeleev Communications, 2022 - Elsevier
This survey describes recent achievements in creating a new type of materials–
nanodiamonds grafted with atoms of transition metals. Structural features of some selected …
nanodiamonds grafted with atoms of transition metals. Structural features of some selected …
DFT analysis and DNA binding, cleavage of copper (II) complexes
S Baskaran, MM Krishnan, MN Arumugham… - Journal of Molecular …, 2016 - Elsevier
Abstract Ternary copper (II) complexes,[Cu (phen)(L-Ser) H 2 O](NO 3)(1) and [Cu (bpy) 2
NO 3](NO 3)(2)(phen= 1, 10-phenanthroline, L-Ser= L-Serine, bpy= 2, 2′-bipyridine), has …
NO 3](NO 3)(2)(phen= 1, 10-phenanthroline, L-Ser= L-Serine, bpy= 2, 2′-bipyridine), has …
DFT studies of disubstituted diphenyldithiophosphates of nickel (II): Structural and some spectral parameters
S Kumar, A Radha, M Kour, R Kumar, A Chouaih… - Journal of Molecular …, 2019 - Elsevier
Three nickel (II) disubstituted diphenyldithiophosphate complexes corresponding to [{(ArO) 2
PS 2} 2 Ni][Ar= 2, 4-(CH 3) 2 C 6 H 3 (1), 3, 5-(CH 3) 2 C 6 H 3 (2) and 4-Cl-3-CH 3 C 6 H 3 …
PS 2} 2 Ni][Ar= 2, 4-(CH 3) 2 C 6 H 3 (1), 3, 5-(CH 3) 2 C 6 H 3 (2) and 4-Cl-3-CH 3 C 6 H 3 …
Molecular structure and spectroscopic investigation of sodium (E)-2-hydroxy-5-((4-sulfonatophenyl) diazenyl) benzoate: a DFT study
Quantum-chemical calculations using the Density Functional Theory (DFT) approach for
structural analysis of new azodye sodium (E)-2-hydroxy-5-((4-sulfonatophenyl) …
structural analysis of new azodye sodium (E)-2-hydroxy-5-((4-sulfonatophenyl) …
Combined experimental and DFT study of the chemical binding of copper ions on the surface of nanodiamonds
ID Gridnev, VY Osipov, AE Aleksenskii… - Bulletin of the …, 2014 - academic.oup.com
DFT (density functional theory) computations of the chemical fixation of copper ions on the
naturally functionalized surface of nanodiamond crystallites bound by (111) planes revealed …
naturally functionalized surface of nanodiamond crystallites bound by (111) planes revealed …
Synthesis, characterization, computational and antimicrobial activities of a novel iridium thiourea complex
A new iridium (III) complex,[Ir (cod)(dmtu) 2] Cl (1, 5-cyclooctadiene)-bis (N, N′-
dimethylthiourea)-iridium (III), was successfully synthesized and characterized using IR …
dimethylthiourea)-iridium (III), was successfully synthesized and characterized using IR …
Synthesis and DFT studies of structural and some spectral parameters of nickel(II) complex with 2-(2-hydroxybenzoyl)-N-(1-adamantyl) hydrazine carbothioamide
An efficient synthesis of the novel 2-(2-hydroxybenzoyl)-N-(1-adamantyl) hydrazine
carbothioamide and its Ni (II) complex are described. Quantum chemical calculations …
carbothioamide and its Ni (II) complex are described. Quantum chemical calculations …
Synthesis, characterization and single crystal X-ray structure determination of three cadmium (II) complexes derived from picric acid and p-nitrobenzoic acid in the …
Cadmium, an extremely toxic heavy metal, is of a major public health concern and its
efficient removal from the environment is a real challenge. This work aims for a deep …
efficient removal from the environment is a real challenge. This work aims for a deep …