[PDF][PDF] Experimental and computational approaches to the molecular structure of 3-(2-Mercaptopyridine) phthalonitrile
The compound 3-(2-Mercaptopyridine) phthalonitrile has been synthesized and
characterized by IR, UV-vis, and X-ray single-crystal determination. The molecular geometry …
characterized by IR, UV-vis, and X-ray single-crystal determination. The molecular geometry …
Spectroscopic (FT–IR and UV–Vis) and theoretical (HF and DFT) investigation of 2-Ethyl-N-[(5-nitrothiophene-2-yl) methylidene] aniline
Crystal structure of the title compound, 2-Ethyl-N-[(5-nitrothiophene-2-yl) methylidene]
aniline, C 13 H 12 N 2 O 2 S, has been synthesized and characterized by FT–IR and UV–Vis …
aniline, C 13 H 12 N 2 O 2 S, has been synthesized and characterized by FT–IR and UV–Vis …
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 …
Synthesis, crystal and molecular structure, and characterization of 2-((2-aminopyridin-3-yl) methylene)-N-ethylhydrazinecarbothioamide using spectroscopic (1H and …
Abstract 2-((2-aminopyridin-3-yl) methylene)-N-ethylhydrazinecarbothioamide was
synthesized. It was characterized by making elemental analysis, assisted by experimental 1 …
synthesized. It was characterized by making elemental analysis, assisted by experimental 1 …
Spectroscopic, single crystal XRD structure, DFT and molecular dynamics investigation of 1-(3-chloro-4-fluorophenyl)-3-[3-(trifluoromethyl) phenyl] thiourea
YS Mary, VV Aswathy, CY Panicker, A Bielenica… - RSC …, 2016 - pubs.rsc.org
The title compound 1-(3-chloro-4-fluorophenyl)-3-[3-(trifluoromethyl) phenyl] thiourea (ANF-
2) was synthesized and structurally characterized by single crystal XRD. The optimized …
2) was synthesized and structurally characterized by single crystal XRD. The optimized …
Studies on the synthesis, spectroscopic analysis and DFT calculations on (E)-4, 6-dichloro-2-[(2-chlorophenylimino) methyl]-3methoxyphenol as a novel Schiff's base
In this study, we report synthesis, single crystal X-ray diffraction, FT-IR and Uv–Vis.
characterizations and computational investigations of the (E)-4, 6-dichloro-2-[(2 …
characterizations and computational investigations of the (E)-4, 6-dichloro-2-[(2 …
Theoretical and experimental investigation of (E)-2-([3, 4-dimethylphenyl) imino] methyl)-3-methoxyphenol: Enol–keto tautomerism, spectroscopic properties, NLO …
Z Demircioğlu, Ç Albayrak, O Büyükgüngör - Journal of Molecular Structure, 2014 - Elsevier
The molecular structure and spectroscopic properties of (E)-2-([3, 4-dimethylphenyl) imino]
methyl)-3-methoxyphenol were investigated by X-ray diffraction, FT-IR and UV–vis …
methyl)-3-methoxyphenol were investigated by X-ray diffraction, FT-IR and UV–vis …
Structural and spectroscopic investigation on antioxidant dipeptide, l-Methionyl-l-Serine: A combined experimental and DFT study
The focus of this study is to determine the conformational, structural and vibrational
properties of Methionyl-Serine dipeptide (l-Methionyl-l-Serine, Met-Ser), a biological active …
properties of Methionyl-Serine dipeptide (l-Methionyl-l-Serine, Met-Ser), a biological active …
Vibrational analysis, electronic structure and nonlinear optical properties of Levofloxacin by density functional theory
S Gunasekaran, K Rajalakshmi… - Spectrochimica Acta Part A …, 2013 - Elsevier
The Fourier transform (FT-IR) spectrum of Levofloxacin was recorded in the region 4000–
400cm− 1 and a complete vibrational assignment of fundamental vibrational modes of the …
400cm− 1 and a complete vibrational assignment of fundamental vibrational modes of the …
Molecular structure, vibrational spectra, NBO, Fukui function, HOMO-LUMO analysis and molecular docking study of 6-[(2-methylphenyl) sulfanyl]-5-propylpyrimidine-2 …
H AlRabiah, S Muthu, F Al-Omary… - Macedonian Journal of …, 2017 - mjcce.org.mk
Theoretical and experimental FT-IR and FT-Raman vibrational spectral analysis of 6-[(2-
methylphenyl) sulfanyl]-5-propylpyrimidine-2, 4 (1H, 3H)-dione have been recorded in the …
methylphenyl) sulfanyl]-5-propylpyrimidine-2, 4 (1H, 3H)-dione have been recorded in the …