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Lobayan, Rosana Maria
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1

Structural and electronic properties of Z isomers of (4α→6´..:

Lobayan, Rosana Maria ; Bentz, Erika N. ; Jubert, Alicia H..
Journal of Molecular Modeling.  18 (2011)  4 - p. 1667-1676 , 2011
Link: https://doi.org/10.1007/..
 
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2

Theoretical studies and vibrational spectra of 1H-indole-3-..:

Lobayan, Rosana Maria ; Pérez Schmit, María Celia ; Jubert, Alicia H..
Journal of Molecular Modeling.  17 (2010)  6 - p. 1381-1392 , 2010
Link: https://doi.org/10.1007/..
 
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3

Study of the structural and electronic properties Valproic ..:

Comelli, Nieves Carolina ; Lobayan, Rosana Maria ; Castro, Eduardo Alberto.
info:eu-repo/semantics/altIdentifier/doi/10.1021/jp1081998.  ,
Link: http://hdl.handle.net/11..
 
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4

Laplacian field of the effectively unpaired electron densit..:

Lobayan, Rosana Maria ; Bochicchio, Roberto Carlos ; Lain, Luis.
info:eu-repo/semantics/altIdentifier/doi/10.1021/jp0681101.  ,
Link: http://hdl.handle.net/11..
 
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5

Structure and electronic properties of (+)-catechin: Aqueou..:

Bentz, Erika Natalia ; Pomilio, Alicia Beatriz ; Lobayan, Rosana Maria
info:eu-repo/semantics/altIdentifier/doi/10.1007/s00894-014-2105-z.  ,
Link: http://hdl.handle.net/11..
 
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6

Electronic structure and effectively unpaired electron dens..:

Lobayan, Rosana Maria ; Bochicchio, Roberto Carlos ; Torres, Alicia Ines.
info:eu-repo/semantics/altIdentifier/doi/10.1021/ct100753q.  ,
Link: http://hdl.handle.net/11..
 
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7

Pairing and unpairing electron densities in organic systems..:

Lobayan, Rosana Maria ; Bochicchio, Roberto Carlos
info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4873547.  ,
Link: http://hdl.handle.net/11..
 
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8

Topology of the effectively paired and unpaired electron de..:

Lobayan, Rosana Maria ; Bochicchio, Roberto Carlos ; Torre, Alicia.
info:eu-repo/semantics/altIdentifier/doi/10.1021/ct900281q.  ,
Link: http://hdl.handle.net/11..
 
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9

Conformational and electronic (AIM/NBO) study of unsubstitu..:

Lobayan, Rosana Maria ; Jubert, Alicia Haydee ; Vitale, Martín G.
info:eu-repo/semantics/altIdentifier/url/https://link.springer.com/article/10.1007/s00894-008-0389-6.  ,
Link: http://hdl.handle.net/11..
 
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10

Topology of the electron density in open-shell systems:

Lobayan, Rosana Maria ; Alcoba, Diego Ricardo ; Bochicchio, Roberto Carlos..
info:eu-repo/semantics/altIdentifier/doi/10.1021/jp909935j.  ,
Link: http://hdl.handle.net/11..
 
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11

Electronic structure and conformational properties of 1H-in..:

Pérez Schmit, María C ; Jubert, Alicia Haydee ; Vitale, Arturo Alberto.
info:eu-repo/semantics/altIdentifier/doi/10.1007/s00894-010-0804-7.  ,
Link: http://hdl.handle.net/11..
 
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12

Pairing and unpairing electron densities in organic systems..:

Lobayan, Rosana Maria ; Bochicchio, Roberto Carlos
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0009261412013991.  ,
Link: http://hdl.handle.net/11..
 
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13

Charge delocalization in Z-isomers of (4α→6', 2α→O→1')-phen..:

Lobayan, Rosana Maria ; Bentz, Erika Natalia ; Jubert, Alicia Haydee.
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S2210271X12005786.  ,
Link: http://hdl.handle.net/11..
 
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14

Charge delocalization in Z-isomers of (4α → 6", 2α → 0 → 1"..:

Lobayan, Rosana María ; Bentz, Erika Natalia ; Jubert, Alicia H.
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.comptc.2012.11.008.  ,
Link: http://hdl.handle.net/11..
 
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15

Some Electronic Correlation Effects in the Topological Anal..:

Lobayan, Rosana Maria ; Sosa, Gladis Laura ; Jubert, Alicia Haydee.
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/abs/10.1021/jp0469923.  ,
Link: http://hdl.handle.net/11..
 
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