Theoretical investigation of the stability, reactivity, and the interaction of methyl-substituted peridinium-based ionic liquids

EA Bisong, H Louis, TO Unimuke… - Physical Sciences …, 2023‏ - degruyter.com
This research work focuses on the reactivity<? index value=" reactivity"?>, stability<? index
value=" stability"?>, and electronic interaction of pyridinium hydrogen nitrate (PHN)-based …

Synthesis, characterization, and theoretical investigation of 4-chloro-6 (phenylamino)-1, 3, 5-triazin-2-yl) asmino-4-(2, 4-dichlorophenyl) thiazol-5-yl-diazenyl) phenyl …

EA Eno, H Louis, TO Unimuke… - Physical Sciences …, 2023‏ - degruyter.com
Abstract The synthesis of 4-chloro-6 (phenylamino)-1, 3, 5-triazin-2-yl) amino-4-(2, 4
dichlorophenyl) thiazol-5-yl-diazenyl) phenyl is reported in this work with a detailed …

Experimental, DFT, molecular docking and in silico ADMET studies of cadmium-benzenetricarboxylates

EI Bassey, TE Gber, EE Ekpenyong, HO Edet… - Ecletica …, 2022‏ - revista.iq.unesp.br
The structure of the polymer [Cd (BTC)(H 2 O) 2] n was identified by X-ray single-crystal
crystallography. The complex's stability and overall reactivity were examined at the B3LYP/6 …

Electronic structure theory study of the reactivity and structural molecular properties of halo-substituted (F, Cl, Br) and heteroatom (N, O, S) doped<? index value=" …

MM Edim, H Louis, EA Bisong, AG Chioma… - Physical Sciences …, 2023‏ - degruyter.com
Cyclobutane and its halo-substituted derivatives and its heteroatom doped<? index value="
doped"?> derivatives have been extensively investigated in this study because of the vast …

[PDF][PDF] Spectral Characterization and Quantum Mechanical Studies of 5-Amino-2-(6-(2-Hydroxyethyl)-3-Oxononyl) Cyclohex-2-Enone Isolated from a Marine Algae

SR Begum, DJ Rao, KVR Rao, Y Ramakrishna… - 2022‏ - biointerfaceresearch.com
The compound C2 was synthesized and characterized with FTIR, FT-Raman, and UV-Vis,
compared to experimental and simulated methods. The compound optimized with the DFT …