Showing results (11-20 of 25) with videos related to
Sort By:
Pageof 3
The Journal of Chemical Physics|October 22, 2005
Electron-density topology in molecular systems: paired and unpaired densitiesRosana M Lobayan, Roberto C Bochicchio, Luis Lain, et al.The Journal of Physical Chemistry. A|April 4, 2007
Laplacian field of the effectively unpaired electron density: determination of many-body effects on electron distributionsRosana M Lobayan, Roberto C Bochicchio, Luis Lain, et al.Journal of Molecular Graphics & Modelling|August 9, 2020
Topological population analysis and pairing/unpairing electron distribution evolution: Atomic B3+ cluster bending mode, a case studyRosana M Lobayan, Roberto C Bochicchio, Carlos Pérez Del ValleJournal of Chemical Theory and Computation|November 26, 2015
Electronic Structure and Effectively Unpaired Electron Density Topology in closo-Boranes: Nonclassical Three-Center Two-Electron BondingRosana M Lobayan, Roberto C Bochicchio, Alicia Torre, et al.Journal of Molecular Modeling|August 14, 2010
Electronic structure and conformational properties of 1H-indole-3-acetic acidMaría C Pérez Schmit, Alicia H Jubert, Arturo Vitale, et al.Journal of Molecular Modeling|March 19, 2010
Theoretical study of Z isomers of A-type dimeric proanthocyanidins substituted with R=H, OH and OCH₃: stability and reactivity propertiesErika N Bentz, Alicia H Jubert, Alicia B Pomilio, et al.The Journal of Physical Chemistry. B|May 19, 2018
Intrinsic Antioxidant Potential of the Aminoindole Structure: A Computational Kinetics Study of TryptamineErika N Bentz, Rosana M Lobayan, Henar Martínez, et al.Journal of Molecular Modeling|November 11, 2011
Conformational and stereoelectronic investigation of tryptamine. An AIM/NBO studyRosana M Lobayan, María C Pérez Schmit, Alicia H Jubert, et al.Journal of Molecular Modeling|November 15, 2012
Aqueous solvent effects on the conformational space of tryptamine. Structural and electronic analysisRosana M Lobayan, María C Pérez Schmit, Alicia H Jubert, et al.The Journal of Physical Chemistry. A|July 15, 2006
Some electronic correlation effects in the topological analysis of the Laplacian of the electronic charge density in C-n-butonium cationsRosana M Lobayan, Gladis L Sosa, Alicia H Jubert, et al.Pageof 3