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Lobayan, Rosana M.
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1
Resonance structure contributions, flexibility, and frontie..:
Szewczuk, Nicolas A.
;
Duchowicz, Pablo R.
;
Pomilio, Alicia B.
.
Journal of Molecular Modeling. 29 (2022) 1 - p. , 2022
Link:
https://doi.org/10.1007/..
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2
Topological description of complex patterns of bonding, cha..:
Lobayan, Rosana M.
;
Bochicchio, Roberto C.
;
Marturet, Alejandro D.
Journal of Molecular Graphics and Modelling. 112 (2022) - p. 108121 , 2022
Link:
https://doi.org/10.1016/..
?
3
Topological population analysis and pairing/unpairing elect..:
Lobayan, Rosana M.
;
Bochicchio, Roberto C.
;
Pérez del Valle, Carlos
Journal of Molecular Graphics and Modelling. 100 (2020) - p. 107696 , 2020
Link:
https://doi.org/10.1016/..
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4
Intrinsic Antioxidant Potential of the Aminoindole Structur..:
Bentz, Erika N.
;
Lobayan, Rosana M.
;
Martínez, Henar
..
The Journal of Physical Chemistry B. 122 (2018) 24 - p. 6386-6395 , 2018
Link:
https://doi.org/10.1021/..
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5
Donor‐acceptor interactions: Transition metal carbonyl grou..:
Bochicchio, Roberto C.
;
Lobayan, Rosana M.
;
del Valle, Carlos Pérez
International Journal of Quantum Chemistry. 119 (2018) 9 - p. , 2018
Link:
https://doi.org/10.1002/..
?
6
Conformational and NBO studies of serotonin as a radical sc..:
Lobayan, Rosana M.
;
Schmit, María Celia Pérez
Journal of Molecular Graphics and Modelling. 80 (2018) - p. 224-237 , 2018
Link:
https://doi.org/10.1016/..
?
7
Donor-acceptor interactions as descriptors of the free radi..:
Bentz, Erika N.
;
Pomilio, Alicia B.
;
Lobayan, Rosana M.
Computational and Theoretical Chemistry. 1110 (2017) - p. 14-24 , 2017
Link:
https://doi.org/10.1016/..
?
8
Depicting electronic distributions from accurate computatio..:
Lobayan, Rosana M.
;
Bochicchio, Roberto C.
;
Pérez del Valle, Carlos
International Journal of Quantum Chemistry. 116 (2016) 24 - p. 1851-1861 , 2016
Link:
https://doi.org/10.1002/..
?
9
Z-Isomers of (4α→6″, 2α→O→1″)-phenylflavan substituted with..:
Bentz, Erika N.
;
Pomilio, Alicia B.
;
Lobayan, Rosana M.
Journal of Molecular Modeling. 22 (2016) 8 - p. , 2016
Link:
https://doi.org/10.1007/..
?
10
Do Organometallic CH4–Me+p Adducts and X4H+ (X = P, As) Clu..:
Lobayan, Rosana M.
;
Bochicchio, Roberto C.
The Journal of Physical Chemistry A. 119 (2015) 27 - p. 7000-7012 , 2015
Link:
https://doi.org/10.1021/..
?
11
Structure and electronic properties of (+)-catechin: aqueou..:
Bentz, Erika N.
;
Pomilio, Alicia B.
;
Lobayan, Rosana M.
Journal of Molecular Modeling. 20 (2014) 2 - p. , 2014
Link:
https://doi.org/10.1007/..
?
12
Exploratory conformational study of (+)-catechin. Modeling ..:
Bentz, Erika N.
;
Pomilio, Alicia B.
;
Lobayan, Rosana M.
Journal of Molecular Modeling. 20 (2014) 12 - p. , 2014
Link:
https://doi.org/10.1007/..
?
13
Pairing and unpairing electron densities in organic systems..:
Lobayan, Rosana M.
;
Bochicchio, Roberto C.
The Journal of Chemical Physics. 140 (2014) 17 - p. , 2014
Link:
https://doi.org/10.1063/..
?
14
Charge delocalization in Z-isomers of (4α→6″, 2α→O→1″)-phen..:
Lobayan, Rosana M.
;
Bentz, Erika N.
;
Jubert, Alicia H.
.
Computational and Theoretical Chemistry. 1006 (2013) - p. 37-46 , 2013
Link:
https://doi.org/10.1016/..
?
15
Pairing and unpairing electron densities in organic systems..:
Lobayan, Rosana M.
;
Bochicchio, Roberto C.
Chemical Physics Letters. 557 (2013) - p. 154-158 , 2013
Link:
https://doi.org/10.1016/..
1-15