Synthesis, molecular structure, Hirshfeld surface analysis, NCI-RDG, spectral characterization analysis, nonlinear optical properties, and in silico molecular docking of …

S Smati, A Djafri, K Menad, N Boukabcha… - Journal of Molecular …, 2024 - Elsevier
Abstract (E)-3-(3-(2-methoxyphenyl)-4-methylthiazol-2 (3H)-ylidene) benzo [4, 5] imidazo [1,
2-c] thiazole-1 (3H)-thione (EMBIT) was synthesized and studied thoroughly by means of X …

Investigating the adsorption performances and hydrophobic mechanism of O-ethyl-N-benzoyl thionocarbamate on chalcopyrite surface

H Yang, K Huang, X Cao, X Huang, Z Cao, H Zhong… - Minerals …, 2022 - Elsevier
The flotation performance and hydrophobic mechanism of O-ethyl-N-benzoyl
thionocarbamate (EBZTC) on chalcopyrite were first estimated by single flotation …

Novel candidates synthesis of indenopyrazole, indenoazine and indenothiophene, with anticancer and in silico studies

MH Abdellattif, MG Assy, A Elfarargy… - Future Medicinal …, 2024 - Taylor & Francis
Aim: The indandione nucleus, is one of the most amazing nuclei in medicinal chemistry, is
used to design new derivatives. Methods & materials: Novel indandione derivatives are …

N-(naphthalen-1-yl (phenyl) carbamothioyl)-3-nitrobenzamide Against Methicillin-Resistant Staphylococcus aureus (MRSA) Isolates: Thermal Kinetics, Theoretical …

E Kutlu, K Yildirim, FM Emen, MA Ali, M Licina… - Journal of Molecular …, 2025 - Elsevier
In this study, the thiourea derivative N-(naphthalen-1-yl (phenyl) carbamothioyl)-3-
nitrobenzamide ligand (HL) was synthesized and structurally characterized using FT-IR and …

Evolving the complexities of glycine magnesium chloride (GMC) crystal through DFT computation for NLO utilizations

T Kamatchi, P Kumaresan, G Suresh - Journal of Molecular Structure, 2023 - Elsevier
A new grown seed's of GMC (Gylcine Magnesium Chloride) are cultivated by slow
evaporation technique. Thus grown seeds are developed as a single large crystal within …

Structural elucidation of new ferrocene appended scaffold and their metal complexes: Comparative in vitro DNA/BSA binding and antibacterial assay

YIMH Abdulrahman, M Zaki, MRM Alhaddad… - Inorganica Chimica …, 2023 - Elsevier
A new organometallic ligand (L) was designed and synthesized from
ferrocenecarboxaldehyde and 2–Aminobenzophenone through the condensation reaction …

Synthesis, spectral and theoretical (DFT) investigations of 4, 6-diphenyl-6-hydroxy-1-{[(1Z)-1-phenyl ethylidene] amino} tetrahydropyrimidine-2 (1H)-one

H Arı, T Özpozan, Z Büyükmumcu, N Akın… - Journal of Molecular …, 2022 - Elsevier
diphenyl-6-hydroxy-1-{[(1Z)-1-phenylethylidene] amino} tetrahydropyrimidine-2 (1H)-one
(PPEP), a member of pyrimidine derivatives which represents a broad class of compounds …

[PDF][PDF] Structure conformation, vibrational properties, nlo activity, homo-lumo and thermodynamic parameters of dinicotinic acid using experimental and theoretical …

G Ramesh, C Venkateshwarlu… - … Res. Appl. Chem., 2022 - researchgate.net
In the present study, the Dinicotinic acid was characterized by FTIR and FT-Raman spectra
in the range of 4000-450 and 4000-50 cm-1. The most stable molecular structure and …

Estudo teórico computacional do corante Solvent Blue 22 e dos efeitos de substituições no seu anel Fenilênico

JM Falleiros - 2021 - bdtd.ueg.br
Uma substância corante apresenta um ou mais cromóforos que absorvem radiação
luminosa na faixa do UV-VIS, a cor visualizada corresponde ao comprimento de onda …

Evolving the Complexities of Glycine Magnesium Chloride (GMC) Crystal Through DFT Computation for NLO Utilizations

K THENNARASU - papers.ssrn.com
A new grown seed's of GMC (Gylcine Magnesium Chloride) are cultivated by slow
evaporation technique. Thus grown seeds are developed as a single large crystal within …