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N-Carbamoyl-Piperidine-4-Carboxylic Acid: An X-ray and Density Functional Tight-Binding Studies
ArticleAbstract: The compound N-carbamoyl-piperidine-4-carbocylic acid was synthesized and characterized by FT-IR andPalabras claves:Crystal structure, DFTB calculation, Hydrogen bonds, N-carbamoylAutores:Bricẽo A., Chacón C., Delgado G.E., Edward E. Ávila, Gonzalez T., Mora A.J.Fuentes:googlescopusHydrogen-bonding patterns in cis-4-ammoniocyclohexanecarboxylate hemihydrate
ArticleAbstract: The hydrogen-bonding pattern in cis-4-ammoniocyclohexanecarboxylate hemihydrate was investigated. ItPalabras claves:Autores:Bahsas A., Delgado G.E., Edward E. Ávila, Koteich S., Mora A.J., Ramírez B.Fuentes:googlescopusOn the energetic and structure of 2-piperidinic acid
Conference ObjectAbstract: In this paper we investigate, by means of ab initio (RHF) and density functional theory calculationsPalabras claves:2-Piperidinic acid, Ab initio calculation, Density functional theory calculations, Hydrogen bond, X-ray structureAutores:Almeida R., Bahsas A., Cuervo J., Delgado G.E., Luis Rincon, Mora A.J.Fuentes:googlescopusStructure and conformational analysis of a bidentate pro-ligand, C <inf>21</inf>H<inf>34</inf>N<inf>2</inf>S<inf>2</inf>, from powder synchrotron diffraction data and solid-state DFTB calculations
ArticleAbstract: The molecular and crystalline structure of ethyl 1′,2′, 3′,4′,4a′,5′,6′,7′- octahydrodispiro[cyclohePalabras claves:Autores:Brunelli M., Contreras R.R., Delgado G.E., Edward E. Ávila, Fitch A.N., Luis Rincon, Mora A.J.Fuentes:googlescopusStudy of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid
ArticleAbstract: Three new coordination polymers based on the combination of rctt-1,2,3,4-cyclobutanetretracarboxylicPalabras claves:Autores:Añez R., Bello L., Bricẽo A., Edward E. Ávila, Escalona A., Gonzalez T., Mora A.J., Quintero M.Fuentes:googlescopusTemperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid
ArticleAbstract: A temperature-controlled X-ray powder diffraction experiment, complemented with TGA and DSC analysisPalabras claves:Autores:Brunelli M., Delgado G.E., Edward E. Ávila, Fitch A.N., Mora A.J.Fuentes:googlescopusThe role of H-bonding in the structure of the 4-piperidinecarboxylic acid monohydrate
Conference ObjectAbstract: In this work we have investigated the hydrogen bond scheme of 4-piperidinecarboxylic (isonipecotic)Palabras claves:Hydrogen bond, Piperidinecarboxylic acids, Semi-empirical calculations, X-ray structureAutores:Almeida R., Bahsas A., Cuervo J., Delgado G.E., Luis Rincon, Mora A.J., Ramírez B.Fuentes:googlescopus