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FT-IR, FT-Raman and UV-visible spectra of motrilin acetogenin isolated from Annona cherimolia
(Elsevier Science, 2019-11)
Annonaceous acetogenin (ACG), motrilin was experimentally isolated and characterized by using the FT-IR and FT-Raman spectra in the solid state and by UV-visible spectrum in methanol solution. The main bands observed in ...
Photochemistry and Vibrational Spectra of 5-Ethoxy-1-Phenyl-1H-Tetrazole
(American Chemical Society, 2007-04)
A combined matrix isolation FT-IR and theoretical DFT(B3LYP)/6-311++G(d,p) study of the molecular structure and photochemistry of 5-ethoxy-1-phenyl-1H-tetrazole (5EPT) was performed. A new method of synthesis of the compound ...
Photochemistry and Vibrational Spectra of Matrix-Isolated Methyl 4-Chloro-5-phenylisoxazole-3-carboxylate
(American Chemical Society, 2011-02)
Methyl 4-chloro-5-phenylisoxazole-3-carboxylate (MCPIC) has been synthesized, isolated in low temperature argon and xenon matrices, and studied by FTIR spectroscopy. The characterization of the low energy conformers of ...
Theoretical, ab initio and DFT, study of the structure and vibrational analysis of Raman, IR and INS spectra of (CH3)3SiNCO
(Elsevier Science, 2006-11)
The molecular geometry for trimethylsilylisocyanate ((CH3)3SiNCO) has been calculated at MP2 and DFT/B3LYP and DFT/B3PW91 methods, and using the 6-31G*, 6-311G**, 6-311++G**, cc-pVDZ and cc-pVTZ basis sets. The equilibrium ...
Conformers, infrared spectrum, UV-induced photochemistry, and near-IR-induced generation of two rare conformers of matrix-isolated phenylglycine
(American Institute of Physics, 2014-10)
The conformational space of α-phenylglycine (PG) have been investigated theoretically at both the DFT/B3LYP/6-311++G(d,p) and MP2/6-311++G(d,p) levels of approximation. Seventeen different minima were found on the investigated ...
Vibration analysis of top plates of acoustic guitarsAnálisis vibratorio de placas armónicas en la guitarra acústica
(Facultad de Ciencias de la Ingeniería, Univesidad Austral de Chile., 2017)
Self-aggregation in pyrrole: Matrix isolation, solid state infrared spectroscopy, and DFT study
(American Chemical Society, 2004-08)
Pyrrole (C4H5N) was embedded in low-temperature solid inert matrixes (argon, xenon; T = 9 K.) and both the monomer and low-order aggregates characterized by FTIR spectroscopy. The spectroscopic studies were complemented ...
Matrix-isolation FTIR, theoretical structural analysis and reactivity of amino-saccharins: N-(1,1-dioxo-1,2-benzisothiazol-3-yl)-N-methyl amine and -N,N-dimethyl amine
(Elsevier Science, 2009-12)
In this work, two novel amino-substituted derivatives of saccharin, N-(1,1-dioxo-1,2-benzisothiazol-3- yl)-N-methyl amine (MBAD) and N-(1,1-dioxo-1,2-benzisothiazol-3-yl)-N,N-dimethyl amine (DMBAD), were synthesized and ...
Conformational Flexibility, UV-Induced Decarbonylation and FT-IR Spectra of 1-Phenyl-1,2 Propanedione in Solid Xenon and in the Low Temperature Amorphous Phase
(American Chemical Society, 2005-06)
1-Phenyl-1,2-propanedione has been isolated in low-temperature xenon matrixes and studied by FTIR spectroscopy, supported by DFT(B3LYP)/6-311++G(d,p) calculations. In good agreement with previous electron diffraction data ...
Base shear determination using response-spectrum modal analysis of multi-degree-of-freedom systems with soil–structure interaction
(Springer NetherlandsUniversidad EAFIT. Departamento de Ingeniería Mecánica, 2019-01-01)
Building codes and design guidelines, e.g. FEMA (NEHRP recommended seismic provisions for new buildings and other structures, FEMA P-1050, Washington, 2015) and ASCE (Minimum design loads for buildings and other structures ...