Mostrando 7 resultados de: 7
Área temáticas
Química inorgánica(4)
Farmacología y terapéutica(3)
Química orgánica(3)
Química analítica(2)
Química física(2)
Cooperative efects on the formation of 4-methyloxycarbonyl-2-azetidinone clusters
Conference ObjectAbstract: In this paper we study the manifestations of cooperative effects in the formation of clusters4-methyPalabras claves:Cooperative effects, Hydrogen bond, supramolecular structureAutores:Almeida R., Delgado G.E., Luis E. Seijas, Luis Rincon, Mora And A.Fuentes:scopusCooperative effects on the formation of supramolecular synthons of thiohydantoin derivatives
ArticleAbstract: In this paper we study the manifestations of cooperative effects in the formation of supramolecularPalabras claves:Cooperative effects, Hydrogen bond, supramolecular synthonsAutores:Almeida R., Delgado G.E., Luis E. Seijas, Mora A.J.Fuentes:scopusOn the electron density localization in HF cyclic clusters
ArticleAbstract: In this work we study the electron density localization/delocalization in HF clusters. In order to dPalabras claves:Cooperative effects, DFT, HF clusters, Hydrogen bondAutores:Almeida R., Luis E. Seijas, Luis Rincon, Lunar A.Fuentes:scopusOn the energetic and geometric description of the interaction between the isonipecotic and 1,1-cylobutanedicarboxilic acids
Conference ObjectAbstract: Recently, multi component crystals composed of two or more molecules that form a unique crystallinePalabras claves:cocrystal, Hydrogen bond, supramolecular structureAutores:Almeida R., Belandría L.N., Luis E. Seijas, Rojas A.Fuentes:scopusOn the geometric and magnetic properties of the monomer, dimer and trimer of NiFe<inf>2</inf>O<inf>4</inf>
ArticleAbstract: In this work, by employing Density Functional Theory, we compute and discuss some geometric and magnPalabras claves:conglomerates, DFT, DOS, ferrite, magnetic properties, spin densityAutores:Almeida R., Contreras P., José Luis Burgos, Luis E. SeijasFuentes:scopusQuantum similarity studies on the antimalarial agent artemisinin
ArticleAbstract: In this work, a QSAR analysis of antimalarial activities of a set of 21 ester and ether derivativesPalabras claves:Artemisinin, MALARIA, Molecular similarity, QSARAutores:Almeida R., Fernández A., Luis RinconFuentes:googlescopusThe performance of HF and DFT/B3LYP in the estimation of the radiative efficiencies of greenhouse gases
ArticleAbstract: In this work, we use electronic structure calculations, at the RHF and DFT/B3LYP level of theory, coPalabras claves:density functional theory, greenhouse gases, Radiative efficiencyAutores:Almeida R., Dávila K.L., Luis E. Seijas, Luis RinconFuentes:scopus