Lobayan, Rosana Maria

PRODUCCION CIENTÍFICO TECNOLÓGICA

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Artículo A search for C-H···O type hydrogen bonds in Lamivudine (3TC). An exploratory conformational and electronic analysis

Fidanza, N. G.; Suvire, Fernando Daniel; Sosa, Gladis Laura; Lobayan, Rosana Maria; Enriz, Ricardo Daniel ; Peruchena, Nelida Maria (Elsevier Science, 2001-06-22)
Artículo AIM/NBO Analysis of the Geminal Coupling Constants in the Stabilization of A‐Type Dimeric Proanthocyanidin: Angular Dependence

Lobayan, Rosana Maria; Provasi, Patricio Federico ; Pomilio, Alicia Beatriz (John Wiley & Sons Ltd, 2024-09)
Artículo Charge delocalization in Z-isomers of (4α → 6”, 2α → 0 → 1”)-phenylflavans with R = H, OH and OCH3. Effects on bond dissociation enthalpies and ionization potentials

Lobayan, Rosana Maria; Bentz, Erika Natalia ; Jubert, Alicia Haydee; Pomilio, Alicia Beatriz (Elsevier, 2013-02)
Artículo Charge delocalization in Z-isomers of (4α→6', 2α→O→1')-phenylflavans with R=H, OH and OCH3: Effects on bond dissociation enthalpies and ionization potentials

Lobayan, Rosana Maria; Bentz, Erika Natalia ; Jubert, Alicia Haydee; Pomilio, Alicia Beatriz (Elsevier Science Inc., 2013-02)
Artículo Conformational and electronic (AIM/NBO) study of unsubstituted A-type dimeric proanthocyanidin

Lobayan, Rosana Maria; Jubert, Alicia Haydee; Vitale, Martín G.; Pomilio, Alicia Beatriz (Springer, 2008-12)
Artículo Depicting electronic distributions from accurate computational first principles: On the relationship between the complex patterns of bonding interaction and the back-donation phenomenon

Lobayan, Rosana Maria; Bochicchio, Roberto Carlos ; Pérez del Valle, Carlos (John Wiley & Sons Inc, 2016-12)
Artículo Do Organo-Metallic CH4-Me+p Adducts and X4H+ (X=P, As) Clusters Undergo Two-Electron Three-Center Interactions? Some Aspects of Discussion

Lobayan, Rosana Maria; Bochicchio, Roberto Carlos (American Chemical Society, 2015-06)
Artículo Donor-acceptor interactions as descriptors of the free radical scavenging ability of flavans and catechin

Bentz, Erika Natalia ; Pomilio, Alicia Beatriz ; Lobayan, Rosana Maria (Elsevier, 2017-03)
Artículo Donor-acceptor interactions: Transition metal carbonyl group ligand [TM(CO) 6 ] q complexes. A case study at correlated level from the topological density point of view

Bochicchio, Roberto Carlos ; Lobayan, Rosana Maria; del Valle, Carlos Pérez (John Wiley & Sons Inc, 2019-05)
Artículo Electronic structure and conformational properties of 1H-indole-3-acetic acid

Perez Schmit, Maria Celia; Jubert, Alicia Haydee; Vitale, Arturo Alberto ; Lobayan, Rosana Maria (Springer, 2011-06)
Artículo Electronic structure and effectively unpaired electron density topology in closo -Boranes: Nonclassical three-center two-electron bonding

Lobayan, Rosana Maria; Bochicchio, Roberto Carlos ; Torres, Alicia Ines ; Lain, Luis (American Chemical Society, 2011-07)
Evento Estudio espectrofotométrico y mecanístico de pares iónicos de alcaloides con verde de bromocresol

Torrico, Silvana N.; Ojeda, Gonzalo Adrian ; Torres, Ana María; Lobayan, Rosana Maria; Szajnman, Sergio Hernan ; Vallejos, Margarita (Sociedad Argentina de Investigación en Química Orgánica, 2023)
Artículo Estudio estructural y conformacional de las antocianinas: pelargonidia, cianidina y delfinidina

Szewczuk, Nicolas Alejadro ; Lobayan, Rosana Maria; Duchowicz, Pablo Román ; Pomilio, Alicia Beatriz (Asociación Química Argentina, 2022-12)
Artículo Laplacian field of the effectively unpaired electron density: Determination of many-body effects on electron distributions

Lobayan, Rosana Maria; Bochicchio, Roberto Carlos ; Lain, Luis; Torres, Alicia Ines (American Chemical Society, 2007-12)
Artículo Pairing and unpairing electron densities in organic systems: [1.1.1]Propellane case

Lobayan, Rosana Maria; Bochicchio, Roberto Carlos (Elsevier Science, 2012-12-08)
Artículo Pairing and unpairing electron densities in organic systems: Two-electron three center through space and through bonds interactions

Lobayan, Rosana Maria; Bochicchio, Roberto Carlos (American Institute of Physics, 2014-05)
Artículo Resonance structure contributions, flexibility, and frontier molecular orbitals (HOMO–LUMO) of pelargonidin, cyanidin, and delphinidin throughout the conformational space: application to antioxidant and antimutagenic activities

Szewczuk, Nicolas Alejadro ; Duchowicz, Pablo Román ; Pomilio, Alicia Beatriz ; Lobayan, Rosana Maria (Springer, 2023-01)
Artículo Some Electronic Correlation Effects in the Topological Analysis of the Laplacian of the Electronic Charge Density in C-n-Butonium Cations

Lobayan, Rosana Maria; Sosa, Gladis Laura; Jubert, Alicia Haydee; Peruchena, Nelida Maria (American Chemical Society, 2005-01)
Artículo Structure and electronic properties of (+)-catechin: Aqueous solvent effects

Bentz, Erika Natalia ; Pomilio, Alicia Beatriz ; Lobayan, Rosana Maria (Springer, 2014-02)
Artículo Study of the structural and electronic properties Valproic Acid and new derivatives used as anticonvulsant agents

Comelli, Nieves Carolina ; Lobayan, Rosana Maria; Castro, Eduardo Alberto ; Jubert, Alicia Haydee (American Chemical Society, 2011-02)

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