Synthesis, structure, theoretical studies, and properties of dinuclear Cu (II) and novel trinuclear Co (II) complexes with a more flexible 3-MeOsalamo-like ligand
L Tong, LL Gan, HW Zhang, YX Sun, HY Niu… - Journal of Molecular …, 2023 - Elsevier
A more flexible 3-methoxysalamo-like ligand H 2 L and its dinuclear Cu (II) complex [Cu 2
(L)(NO 3) 2](1) and novel trinuclear Co (II) complex [{Co 3 (L) 2 (µ 3single bond OAc) 2} 2]⋅ …
(L)(NO 3) 2](1) and novel trinuclear Co (II) complex [{Co 3 (L) 2 (µ 3single bond OAc) 2} 2]⋅ …
[HTML][HTML] Study of a new piperidone as an anti-Alzheimer agent: Molecular docking, electronic and intermolecular interaction investigations by DFT method
A Ramalingam, S Sambandam, M Medimagh… - Journal of King Saud …, 2021 - Elsevier
In this work, experimental spectroscopic and theoretical methods as quantum chemical
calculation were performed for 3-chloro-r (2), c (6)-bis (4-fluorophenyl)-3-methylpiperidin-4 …
calculation were performed for 3-chloro-r (2), c (6)-bis (4-fluorophenyl)-3-methylpiperidin-4 …
Microwave assisted synthesis, vibrational spectra, Hirshfeld surface and interaction energy, DFT, topology, in silico ADMET and molecular docking studies of 1, 2-bis …
R Subramaniyan, R Ramarajan, A Ramalingam… - Journal of Molecular …, 2023 - Elsevier
The aim of this research is to synthesize symmetric azine using microwave irradiation. The
symmetrical azine, 1, 2-bis (4-methoxybenzylidene) hydrazine (abbreviated as B4MbH) was …
symmetrical azine, 1, 2-bis (4-methoxybenzylidene) hydrazine (abbreviated as B4MbH) was …
Experimental and theoretical study of the sulfamic acid-urea deep eutectic solvent
AS Kazachenko, N Issaoui, M Medimagh… - Journal of Molecular …, 2022 - Elsevier
A sulfamic acid-urea mixture deep eutectic solvent has been intensively investigated in the
last few years as an agent for sulfating natural substances alternative to toxic complexes of …
last few years as an agent for sulfating natural substances alternative to toxic complexes of …
Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2, 6 …
A Ramalingam, M Kuppusamy, S Sambandam… - Heliyon, 2022 - cell.com
Abstract Isopropyl 1-benzoyl-4-(benzoyloxy)-2, 6-diphenyl-1, 2, 5, 6-tetrahydropyridine-3-
carboxylate (IDPC) was synthesized and characterized via spectroscopic (FT-IR and NMR) …
carboxylate (IDPC) was synthesized and characterized via spectroscopic (FT-IR and NMR) …
Investigation of the corrosion inhibition potentials of some 2-(4-(substituted) arylidene)-1H-indene-1, 3-dione derivatives: density functional theory and molecular …
Background Corrosion is a threat to material strength and durability. Electron-rich organic
inhibitor may offer good corrosion mitigation potentials. In this work, anti-corrosion potentials …
inhibitor may offer good corrosion mitigation potentials. In this work, anti-corrosion potentials …
Synthesis, vibrational spectra, Hirshfeld surface analysis, DFT calculations, and in silico ADMET study of 3-(2-chloroethyl)-2, 6-bis (4-fluorophenyl) piperidin-4-one: a …
A Ramalingam, AR Guerroudj, S Sambandam… - Journal of Molecular …, 2022 - Elsevier
This study included experimental analysis, FT-Raman, FT-IR, UV-Vis and NMR with
theoretical investigations of 3-(2-chloroethyl)-2, 6-bis (p-fluorophenyl) piperidin-4-one …
theoretical investigations of 3-(2-chloroethyl)-2, 6-bis (p-fluorophenyl) piperidin-4-one …
Synthesis, structural, third-order nonlinear optical properties and Hirshfeld surface analysis of 1-((E)-(4-chlorophenylimino) methyl) naphthalen-2-ol
M Neela, B Premalatha, P Punitha, TCS Girisun - Optik, 2023 - Elsevier
A Schiff base was synthesized via a slow evaporation approach using the condensation
reaction of substituted aniline and 2-hydroxy-1-naphthaldehyde. Single Crystal X-Ray …
reaction of substituted aniline and 2-hydroxy-1-naphthaldehyde. Single Crystal X-Ray …
Synthesis, structural characterization, DFT calculations, and molecular docking of a novel quinoline derivative
A novel quinoline derivative,(E)-N-phenyl-4-((quinoli-4-ylmethylene) amino) aniline (PQYA),
was synthesized using a previously reported approach with 80% yield. Single X-ray …
was synthesized using a previously reported approach with 80% yield. Single X-ray …
Synthesis, molecular docking of 3-(2-chloroethyl)-2, 6-diphenylpiperidin-4-one: Hirshfeld surface, spectroscopic and DFT based analyses
A Kumar, S Sambandam, A Ramalingam… - Journal of Molecular …, 2022 - Elsevier
Abstract In this work, 3-(2-chloroethyl)-2, 6-diphenylpiperidin-4-one (CEDP) was
synthesized, characterized via spectroscopic techniques (FT-IR, FT-Raman, UV–Vis, 1 H …
synthesized, characterized via spectroscopic techniques (FT-IR, FT-Raman, UV–Vis, 1 H …