Investigation of spectroscopic, reactive, transport and docking properties of 1-(3, 4-dichlorophenyl)-3-[3-(trifluoromethyl) phenyl] thiourea (ANF-6): Combined …
The wavenumbers, molecular structure, molecular electrostatic potential, nonlinear optical
properties and natural bond orbital analysis of a thiourea derivative, 1-(3, 4-dichlorophenyl) …
properties and natural bond orbital analysis of a thiourea derivative, 1-(3, 4-dichlorophenyl) …
Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical procedures
Abstract N-[2-(2-bromophenyl)-1, 3-benzoxazol-5-yl]-2-phenylacetamide (NBBPA) was
synthesized in this study as an original compound in order to evaluate its antibacterial …
synthesized in this study as an original compound in order to evaluate its antibacterial …
Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular …
S Beegum, YS Mary, HT Varghese, CY Panicker… - Journal of Molecular …, 2017 - Elsevier
Using density functional theory technique in the B3LYP approximation and cc-pVDZ (5D, 7F)
basis set, the molecular structural parameters and vibrational wave numbers of two …
basis set, the molecular structural parameters and vibrational wave numbers of two …
[HTML][HTML] Five Unprecedented Secondary Metabolites from the Spider Parasitic Fungus Akanthomyces novoguineensis
SE Helaly, W Kuephadungphan, S Phongpaichit… - Molecules, 2017 - mdpi.com
Five new compounds including the glycosylated β-naphthol (1, akanthol), a glycosylated
pyrazine (2, akanthozine), and three amide derivatives including a hydroxamic acid …
pyrazine (2, akanthozine), and three amide derivatives including a hydroxamic acid …
New quinolone derivative: Spectroscopic characterization and reactivity study by DFT and MD approaches
The spectral characterization of ethyl-4-hydroxy-2-oxo-1, 2-dihydroquinoline-3-carboxylate
(EHODQ3C) was performed by FT-IR and FT-Raman spectroscopic techniques and density …
(EHODQ3C) was performed by FT-IR and FT-Raman spectroscopic techniques and density …
Synthesis, molecular docking, DFT calculations and cytotoxicity activity of benzo [g] quinazoline derivatives in choline chloride-urea
S Lakshmanan, D Govindaraj, N Ramalakshmi… - Journal of Molecular …, 2017 - Elsevier
Green and highly efficient one-pot three component approach for the synthesis of benzo [g]
quinazoline derivatives (6a–g) using Choline chloride-urea (DES). Synthesized compounds …
quinazoline derivatives (6a–g) using Choline chloride-urea (DES). Synthesized compounds …
Reactive, spectroscopic and antimicrobial assessments of 5-[(4-methylphenyl) acetamido]-2-(4-tert-butylphenyl) benzoxazole: Combined experimental and …
Abstract The synthesis, FT-IR, FT-Raman and NMR spectral analysis of an antimicrobial
active benzoxazole derivative, 5-[(4-methylphenyl) acetamido]-2-(4-tert-butylphenyl) …
active benzoxazole derivative, 5-[(4-methylphenyl) acetamido]-2-(4-tert-butylphenyl) …
Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro-2-phenoxymethyl benzimidazole
Abstract FT-IR and FT-Raman spectra of 5-nitro-2-phenoxymethylbenzimidazole were
recorded and analyzed theoretically and experimentally. The splitting of Nsingle bond H …
recorded and analyzed theoretically and experimentally. The splitting of Nsingle bond H …
Towards the new heterocycle based molecule: synthesis, characterization and reactivity study
PK Murthy, YS Mary, V Suneetha, CY Panicker… - Journal of Molecular …, 2017 - Elsevier
Chloro-2-(3-fluorophenyl)-2, 3-dihydro-1H-pyrrolo [3, 4-c] pyridin-1-one (CFPDPPO) have
been synthesized by hydride transfer from Et3SiH to carbenium ions (reduction reaction) …
been synthesized by hydride transfer from Et3SiH to carbenium ions (reduction reaction) …
Synthesis, vibrational spectroscopic investigations, molecular docking, antibacterial studies and molecular dynamics study of 5-[(4-nitrophenyl) acetamido]-2-(4-tert …
YS Mary, MM Al-Shehri, K Jalaja, FAM Al-Omary… - Journal of Molecular …, 2017 - Elsevier
Abstract Antimicrobial active 5-[(4-nitrophenyl) acetamido]-2-(4-tert-butylphenyl)
benzoxazole (NATPB) was synthesized and observed IR, Raman bands are compared with …
benzoxazole (NATPB) was synthesized and observed IR, Raman bands are compared with …