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Contracted GTF basis sets applied to the theoretical interpretation of the Raman spectrum of hexaaquachromium(III) ion

Universidade Estadual Paulista (Unesp); Universidade de São Paulo (USP); Universidade Federal do Pará (UFPA); Cooperativa Centro de Educação Cientı́fica e Empreendedora da Amazônia (2003-04-25)

Contracted GTF basis sets designed with aid of the Generator Coordinate Hartree-Fock (GCHF) method for H(2S), O2-(1S), and Cr3+(4F) atomic species are applied to perform theoretical interpretation of the Raman spectrum of ...

Contracted GTF basis sets applied to the theoretical interpretation of the Raman spectrum of hexaaquachromium(III) ion

Filho, Oswaldo Treu; Kondo, Rogério Toshiaki; Pinheiro, José Ciríaco (2014)

Surface-enhanced raman spectra of phthalimide. Interpretation of the SERS spectra of the surface complex formed on silver islands and colloids

Aroca, R. F.; Clavijo Campos, Ernesto; Halls, M. D.; Schlegel, H. B. (American Chemical Society, 2000)

The surface-enhanced Raman scattering (SERS) spectra for phthalimide (PIMH) vacuum evaporated, cast onto silver island films, and from colloidal silver are clearly identified with the formation of a phthalimide-silver ...

A quantum chemical guided interpretation of the infrared and Raman spectra of trimethylsilyl trifluoromethanesulfonate, CF3SO2OSI(CH3)3

Fernandez, Lis Eleonora; Ben Altabef, Aída; Varetti, Eduardo Lelio (Elsevier Science, 2000-10)

The optimized structure and the wavenumbers of the normal modes of vibration were calculated for CF3SO2OSi(CH3)3 using density functional theory (DFT) methods, with a B3LYP functional and the 6-31G(**) basis set. The ...

Identification of species formed after pyridine adsorption on iron, cobalt, nickel and silver electrodes by SERS and theoretical calculations

ANDRADE, Gustavo F. S.; TEMPERINI, Marcia L. A. (JOHN WILEY & SONS LTD, 2009)

The adsorption of pyridine (py) on Fe, Co, Ni and Ag electrodes was studied using surface-enhanced Raman scattering (SERS) to gain insight into the nature of the adsorbed species. The wavenumber values and relative intensities ...

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Contracted GTF basis sets applied to the theoretical interpretation of the Raman spectrum of hexaaquachromium(III) ion

Contracted GTF basis sets applied to the theoretical interpretation of the Raman spectrum of hexaaquachromium(III) ion

Contracted GTF basis sets applied to the theoretical interpretation of the Raman spectrum of hexaaquachromium(III) ion

Surface-enhanced raman spectra of phthalimide. Interpretation of the SERS spectra of the surface complex formed on silver islands and colloids

A quantum chemical guided interpretation of the infrared and Raman spectra of trimethylsilyl trifluoromethanesulfonate, CF3SO2OSI(CH3)3

Identification of species formed after pyridine adsorption on iron, cobalt, nickel and silver electrodes by SERS and theoretical calculations

Surface-enhanced Raman scattering study of L-tryptophan

Experimental and theoretical conformational studies on diallyl sulfide

Catálogo de espectros Raman para minerales de depósitos piroclásticos del volcán Azufral, Nariño

SERS and theoretical studies of arginine

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Contracted GTF basis sets applied to the theoretical interpretation of the Raman spectrum of hexaaquachromium(III) ion

Contracted GTF basis sets applied to the theoretical interpretation of the Raman spectrum of hexaaquachromium(III) ion

Contracted GTF basis sets applied to the theoretical interpretation of the Raman spectrum of hexaaquachromium(III) ion

Surface-enhanced raman spectra of phthalimide. Interpretation of the SERS spectra of the surface complex formed on silver islands and colloids

A quantum chemical guided interpretation of the infrared and Raman spectra of trimethylsilyl trifluoromethanesulfonate, CF3SO2OSI(CH3)3

Identification of species formed after pyridine adsorption on iron, cobalt, nickel and silver electrodes by SERS and theoretical calculations

Surface-enhanced Raman scattering study of L-tryptophan

Experimental and theoretical conformational studies on diallyl sulfide

Catálogo de espectros Raman para minerales de depósitos piroclásticos del volcán Azufral, Nariño

SERS and theoretical studies of arginine