Carolina Olea Ulloa

San Sebastián University — Chile

Chemistry · Physical Sciences

6h-index125citations25works1.02yr avg
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Research Topics

Crystallography and molecular interactions(6), Supramolecular Chemistry and Complexes(5), Fullerene Chemistry and Applications(5), Synthesis and Properties of Aromatic Compounds(5), Molecular Sensors and Ion Detection(3)

Publications25 total

Exploring the stability and pH-responsive behavior of the diphenylporphyrin@ExBOX4+ complex for controlled drug release: A theoretical study
Journal of Molecular Graphics and Modelling·2025
Anion Encapsulation with Micromolar Affinity on [Pd<sub>2</sub>L<sub>4</sub>]<sup>4+</sup> Receptor Cage. Nature of Anion-Receptor Interaction and <sup>1</sup>H NMR Parameters from Dispersion-Corrected DFT Calculations
The Journal of Physical Chemistry C·2024· 2 cited
Dual spherical-spherical aromaticity in [M(η2-P4)2]+ (M = Cu, Ag, Au) and [P(P4)2]+. Evaluation of bonding nature and spherical aromatic character of the P4 aggregates from DFT calculations
Inorganic Chemistry Communications·2023· 2 cited
The nature of the central halide encapsulation in bambusuril hosts (BU[6]). Structural and interaction energy insights in BU[6]·X− (X = Cl, Br, I) from relativistic DFT calculations
Inorganica Chimica Acta·2023· 8 cited
On the Cation-π capabilities of infinitene (∞). Evaluation of bonding and circular dichroism properties for Infinitene-Ag(I)n (n = 1–4) complexes from relativistic DFT calculations
Polyhedron·2023· 4 cited
Nature of the dative Nitrogen-Coinage metal bond in molecular Motors. Evaluation of NHC-M pyrazine bond (M = Cu, Ag, Au) from relativistic DFT
Inorganica Chimica Acta·2023· 2 cited
Infinitene as two fused helicoidal trails of fused rings: evaluation of the magnetic behavior of [12]infinitene and anionic species displaying global aromaticity and antiaromaticity
Physical Chemistry Chemical Physics·2023· 6 cited
Nature and role of formal charge of the ion inclusion in hexanuclear Platinum(II) Host-Guest Species. Insights from relativistic DFT calculations
Inorganica Chimica Acta·2022· 2 cited
Physical properties of new ordered bimetallic phases M<sub>0.25</sub>Cd<sub>0.75</sub>PS<sub>3</sub> (M = Zn<sup>II</sup>, Ni<sup>II</sup>, Co<sup>II</sup>, Mn<sup>II</sup>)
Physical Chemistry Chemical Physics·2020· 6 citedOpen Access
Formation of Coinage-Metal···Fullerene Adducts. Evaluation of the Interaction Nature between Triangular Coinage Metal Complexes (M<sub>3</sub> = Cu, Ag, and Au) and C<sub>60</sub> through Relativistic Density Functional Theory Calculations
The Journal of Physical Chemistry C·2018· 28 cited
On the cation–π capabilities of small all sp<sup>2</sup>‐carbon host structures. Evaluation of [6.8]<sub>3</sub>cyclacene from relativistic DFT calculations
International Journal of Quantum Chemistry·2018· 5 cited
Nature of cucurbituril–halogen encapsulation. Structural and interaction energy consideration in the X<sub>2</sub>@CB[<i>n</i>] (X = Cl, Br, I,<i>n</i>= 6, 7, 8) from relativistic DFT calculations
Physical Chemistry Chemical Physics·2018· 11 cited
CCDC 1585352: Experimental Crystal Structure Determination
The Cambridge Structural Database·2018Open Access
CCDC 1585351: Experimental Crystal Structure Determination
The Cambridge Structural Database·2018Open Access
CCDC 1585350: Experimental Crystal Structure Determination
The Cambridge Structural Database·2018Open Access
Heterometallic Cu<sup>II</sup>/Ln<sup>III</sup> polymers active in the catalytic aerobic oxidation of cycloalkenes under solvent-free conditions
Dalton Transactions·2018· 9 citedOpen Access
Formation of Coinage-Metal···Fullerene Adducts. Evaluation of the Interaction Nature between Triangular Coinage Metal Complexes (M₃ = Cu, Ag, and Au) and C₆₀ through Relativistic Density Functional Theory Calculations
The Journal of Physical Chemistry·2018
[2.2.2]Paracyclophane, preference for η<sup>6</sup> or η<sup>18</sup> coordination mode including Ag(<scp>i</scp>) and Sn(<scp>ii</scp>): a survey into the cation–π interaction nature through relativistic DFT calculations
RSC Advances·2014· 27 citedOpen Access
Theoretical study of the binding strength and magnetical response properties involved in the formation of the π-donor/π-acceptor [TTF–CBPQT]4+ host–guest system
Polyhedron·2013· 3 citedOpen Access
Synthesis of calix[4]arenes bearing benzothiazolyl, benzoxazolyl and benzoimidazolyl heterocycles
Journal of Chemical Research·2008· 2 cited
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Frequent Co-authors

Alvaro Muñoz‐Castro(13), Raúl Guajardo‐Maturana(6), Miguel Ponce‐Vargas(5), Pablo Fuentealba(5), Giovanni F. Caramori(4), Patricio Cancino(4), L. Santibañez(4), Andrés Vega(4), Evgenia Spodine(4), Peter L. Rodríguez‐Kessler(4), Renato L. T. Parreira(3), Alexandre O. Ortolan(2), Carlos Mujica(2), Jaime Llanos(2), Κ. Peters(2), Rafael de Mattos Piccoli(1), Gernot Frenking(1), Letícia Madureira(1), Héctor Aguilar‐Bolados(1), Nathalie Audebrand(1)