logo biblio digital exactas
logo twitter logo instagram logo whatsapp logo mail

Navegar

Colección

Datos Estadísticas

Lista de

Atoms in Molecules
8
"Donor-acceptor interactions as descriptors of the free radical scavenging ability of flavans and catechin" (2017) Bentz, E.N.; Pomilio, A.B.; Lobayan, R.M. Computational and Theoretical Chemistry. 1110:14-24
"Polymorphism of a widely used building block for halogen-bonded assemblies: 1,3,5-Trifluoro-2,4,6-Triiodobenzene" (2017) Raffo, P.A.;Suárez, S.;Fantoni, A.C. (...)Cukiernik, F.D. Acta Crystallographica Section C: Structural Chemistry. 73(9):667-673
"Structural and theoretical characterization of a new twisted 4′-substituted terpyridine compound: 4′-(isoquinolin-4-yl)-2,2′:6′,2′′-terpyridine" (2016) Granifo, J.;Arévalo, B.;Gaviño, R. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 72:932-938
"Br⋯Br and van der Waals interactions along a homologous series: Crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes" (2016) Suarez, S.A.;Muller, F.;Gutiérrez Suburu, M.E. (...)Cukiernik, F.D. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 72:693-701
"Structure and electronic properties of (+)-catechin: Aqueous solvent effects" (2014) Bentz, E.N.; Pomilio, A.B.; Lobayan, R.M. Journal of Molecular Modeling. 20(2)
"Aqueous solvent effects on the conformational space of tryptamine. Structural and electronic analysis" (2013) Lobayan, R.M.; Schmit, M.C.P.; Jubert, A.H.; Vitale, A. Journal of Molecular Modeling. 19(3):1109-1123
"Description of functional groups by means of domain-restricted reduced density matrices" (2007) Alcoba, D.R.; Torre, A.; Bochicchio, R.C.; Lain, L. Theoretical Chemistry Accounts. 118(5-6):827-835