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Exploring the electronic, optical, and charge transfer properties of ADA-type IDTV-ThIC-based molecules to enhance photovoltaic performance of organic solar cells
Improving the charge mobility and optoelectronic properties of indacenodithiophene-based
small molecule acceptors is a key challenge to improving overall efficiency. In this current …
small molecule acceptors is a key challenge to improving overall efficiency. In this current …
Adsorption properties of metal functionalized fullerene (C59Au, C59Hf, C59Ag, and C59Ir) nanoclusters for application as a biosensor for hydroxyurea (HXU) …
This theoretical study was conducted to evaluate the efficiency of fullerene C60 and its metal
functionalized nano clusters (C59Au, C59Hf, C59Ag and C59Ir) as a sensor for hydroxyurea …
functionalized nano clusters (C59Au, C59Hf, C59Ag and C59Ir) as a sensor for hydroxyurea …
Synthesis, XRD, hirshfeld surface analysis, ESP, HOMO-LUMO, quantum chemical modeling and anticancer activity of di (p-methyl benzyl)(dibromo)(1, 10 …
KP Manoj, N Elangovan, S Chandrasekar - Inorganic Chemistry …, 2022 - Elsevier
The di (p-methyl benzyl)(dibromo)(1, 10-phenanthroline) tin (IV) complex (M2) was
synthesized and experimentally proved by FT-IR, FT-Raman, 1 HNMR, 13 CNMR, 119 …
synthesized and experimentally proved by FT-IR, FT-Raman, 1 HNMR, 13 CNMR, 119 …
Synthesis, characterization, vibrational analysis and computational studies of a new Schiff base from pentafluoro benzaldehyde and sulfanilamide
This work presents the characterization of (E)-4-(((perfluorophenyl) methylene) amino)
benzenesulfonamide (PFNI) by spectral techniques and quantum chemical calculations. The …
benzenesulfonamide (PFNI) by spectral techniques and quantum chemical calculations. The …
Synthesis, spectral characterization, electronic structure and biological activity screening of the schiff base 4-((4-hydroxy-3-methoxy-5-Nitrobenzylidene) Amino)-N …
A new Schiff base was prepared by the condensation between the sulfa drug sulfadiazine
and 5-nitrovanilline to form 4-((4-hydroxy-3-methoxy-5-nitrobenzylidene) amino)-N …
and 5-nitrovanilline to form 4-((4-hydroxy-3-methoxy-5-nitrobenzylidene) amino)-N …
FT-IR and FT-Raman investigation, quantum chemical studies, molecular docking study and antimicrobial activity studies on novel bioactive drug of 1-(2, 4 …
Density functional theory (DFT) approach has become one of the most cost-effective means
to investigate the molecular structure and vibrational spectra are finding widespread use in …
to investigate the molecular structure and vibrational spectra are finding widespread use in …
Synthesis, spectral analysis, antibacterial activity, quantum chemical studies and supporting molecular docking of Schiff base (E)-4-((4-bromobenzylidene) amino) …
A new Schiff base (E)-4-((4-bromobenzylidene) amino) benzenesulfonamide (M2) was
synthesized by the reaction between 4-bromobenzaldehyde and sulfanilamide followed by …
synthesized by the reaction between 4-bromobenzaldehyde and sulfanilamide followed by …
Synthesis, spectral, structural features, electronic properties, biological activities, computational, wave function properties, and molecular docking studies of (E)-4 …
S Sowrirajan, N Elangovan, G Ajithkumar… - Journal of Molecular …, 2022 - Elsevier
Abstract Infrared, Raman, 1HNMR, 13CNMR, and VU-Visible spectroscopy have been used
to characterize the newly synthesized compound (E)-4-((perfluorophenyl) methylene) …
to characterize the newly synthesized compound (E)-4-((perfluorophenyl) methylene) …
Synthesis, structural, DFT, quantum chemical modeling and molecular docking studies of (E)-4-(((5-methylfuran-2-yl) methylene) amino) benzenesulfonamide from 5 …
J Geethapriya, A Shanthidevi, M Arivazhagan… - Journal of the Indian …, 2022 - Elsevier
Abstract Schiff base (E)-4-(((5-methylfuran-2-yl) methylene) amino) benzene sulfonamide
(5M2FNI) compound was synthesized with coordination of 5-methyl-2-furaldehyde and …
(5M2FNI) compound was synthesized with coordination of 5-methyl-2-furaldehyde and …
Spectroscopic, Computational (DFT), Quantum mechanical studies and protein-ligand interaction of Schiff base 6, 6-((1, 2-phenylenebis (azaneylylidene)) bis …
TS Ganesan, N Elangovan, V Vanmathi… - Journal of the Indian …, 2022 - Elsevier
Abstract Infrared, 1 HNMR, 13 CNMR, and VU-Visible spectroscopy have been used to
characterize the novel 6, 6-((1, 2-phenylenebis (azaneylylidene)) bis (methaneylylidene)) …
characterize the novel 6, 6-((1, 2-phenylenebis (azaneylylidene)) bis (methaneylylidene)) …