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Contenidos de estructura atómica y molecular en libros de texto españoles de Química general (1928-1978)

• Authors : Sánchez Gómez, Pedro; González Canle, Felicísimo

Subjects: libros de texto españoles; estructura atómica; estructura molecular

• Source: Enseñanza de las ciencias: revista de investigación y experiencias didácticas; 2014: Vol.: 32 Núm.: 3; p. 671-689Enseñanza de las Ciencias: revista de investigación y experiencias

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Las TICs como herramienta para visualizar estructuras moleculares en la enseñanza de la Química General.

• Authors : Gamboa-Carballo, Juan José¹; Ferino-Pérez, Anthuan¹; Lau-González, Maritza¹

• Source: Revista Cubana de Química. set-dic2017, Vol. 29 Issue 3, p466-479. 14p. 1 Diagram, 1 Chart, 3 Graphs.

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Vibrational study of S(-) and R(+) forms of analgesic camphor combining DFT calculations with normal internal coordinates and SQMFF methodology

• Authors : Ruiz Hidalgo, José; Brandan, Silvia Antonia

Subjects: CAMPHOR; STRUCTURAL; VIBRATIONAL SPECTRA

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Spectroscopic studies on the potassium 1-fluorobenzoyltrifluoroborate salt by using the FT-IR, Raman and UV–Visible spectra and DFT calculations

• Authors : Iramain, Maximiliano Alberto; Ledesma, Ana Estela; Imbarack, Elizabeth

Subjects: DFT CALCULATIONS; FORCE FIELD; MOLECULAR STRUCTURE

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Predicting properties of species derived from N-(1H-indol-3-ylmethyl)-N,N-dimethylamine, Gramine, a indol alkaloid.

• Authors : Iramain, Maximiliano Alberto; Ruiz Hidalgo, José; Brandan, Silvia Antonia

Subjects: Molecular structure; Vibrational spectra; Force field

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Analizando the effects of halogen on properties of a halogenated series of R and S enantiomers analogues alkaloid cocaine-X, X=F, Cl, Br, I.

• Authors : Iramain, Maximiliano Alberto; Ledesma, Ana Estela; Brandan, Silvia Antonia

Subjects: HALOGENATED DERIVATIVES COCAINE; MOLECULAR STRUCTURE; FRONTIER ORBITALS

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Role of Halogen F---H Bonds in Potassium Trifluoroborate Salts

• Authors : Iramain, Maximiliano Alberto; Brandan, Silvia Antonia

Subjects: Potassium trifluoroborate salt; DFT calculations; Vibrational spectra

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Structural and vibrational study on the acid, hexa-hydrated and anhydrous trisodic salts of antiviral drug Foscarnet

• Authors : Iramain, Maximiliano Alberto; Brandan, Silvia Antonia

Subjects: FOSCARNET; VIBRATIONAL SPECTRA; MOLECULAR STRUCTURE

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A structural and vibrational investigation on the antiviral deoxyribonucleoside thymidine agent in gas and aqueous solution phases.

• Authors : Márquez, Maria Belén¹; Brandán, Silvia Antonia¹

• Source: International Journal of Quantum Chemistry. Feb2014, Vol. 114 Issue 3, p209-221. 14p.

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