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Associate researchers

Patricio Fuentealba

Phone(s): (56-2) 978 7268
Departamento de Física, Facultad de Ciencias, Universidad de Chile.
Las Palmeras 3425, Ñuñoa, Santiago, Chile.

Professional Degree

  • Ph. D. Stuttgart university, Germany.

Guieded Graduate Thesis (Since 2006)

  • Tesis de Magister, alumno Roberto Donoso (1992).
  • Tesis de Doctorado, alumno Yamil Simon (1999).
  • Tesis de Doctorado, alumno Eduardo Chamorro (2001).
  • Tesis de Doctorado, alumno Juan Carlos Santos (2001).
  • Tesis de Doctorado, alumno Bahdin Gomez (2002).
  • Tesis de Doctorado, alumna Junia Melin (2003).
  • Tesis de Doctorado, alumno William Tiznado (2006).
  • Tesis de Doctorado, alumna Lorena Meneses (2005).
  • Tesis de Doctorado, alumna Elizabeth Florez (2006).
  • Tesis de Doctorado, alumno Carlos Cá́rdenas (2007).
  • Tesis de Doctorado, alumno Jesus Centeno(en preparación).
  • Tesis de Doctorado, alumna Doris Guerra(2007).
  • Tesis de Doctorado, alumna Paula Jaramillo(2007).
  • Tesis de Doctorado, alumna Natalia Inostroza(en preparación).


  1. T. Novoa, J. Contreras-García, P. Fuentealba, C. Cárdenas
    The Pauli principle and the confinement of electron pairs in a double well: Aspects of electronic bonding under pressure
    J. Chem. Phys. 150, 204304 (2019)

  1. C. Cárdenas, M. Muñoz, J. Contreras, P.W. Ayers, T. Gómez, P. Fuentealba
    Understanding Chemical Reactivity in Extended Systems: Exploring Models of Chemical Softness in Carbon Nanotubes
    Acta Phys. -Chim. Sin. 2018, 34(6), 631-638

  1. R. Pino-Rios, O. Yanez, D. Inostroza, L. Ruiz, C. Cardenas, P. Fuentealba, W. Tiznado
    Proposal of a simple and effective local reactivity descriptor through a topological analysis of an orbital-weighted fukui function
    Journal of Computational Chemistry 2017, 38, 481–488 | Published 27 Jan

  1. D. Inostroza, C. Cárdenas, P. Fuentealba
    A numerical study of the Lieb–Thirring kinetic energy lower bound
    Molecular Physics 114(7-8):1-6 ; Published 17 April 2016
  2. A. Vázquez-Espinal, R. Pino-Rios, P. Fuentealba, W. Orellana, W. Tiznado
    Insight into hydrogen dissociation mechanism on lithium edge-decorated carbon rings and graphene nanoribbon.
    International Journal of Hydrogen Energy 41 (2016) 5709-5715; Published 13 April 2016
  3. A. Vázquez-Eapinal, J.J. Torres-Vega, L. Alvarez-Thon , P. Fuentealba, R. Islas, W. Tiznado
    Boron avoids cycloalkane-like structures in the LinBnH2n series.
    New J. Chem., 2016,40, 2007-2013; Published 01 Mar 2016
  4. R. Donoso, J. Rössler, S. Llano-Gil, P. Fuentealba, C. Cárdenas
    Ferromagnetic bond of Li10 cluster: An alternative approach in terms of effective ferromagnetic sites
    J. Chem. Phys. 145, 094301 (2016)

  1. L. Pison, V. Bernales, P. Fuentealba, A.A.H. Padua, M.F. Costa Gomes
    Isobutane as a probe of the structure of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids
    J. Chem. Thermodynamics 89 (2015) 98–103; Published Oct 2015

  1. P. Fuentealba and C. Cárdenas
    Density Functional Theory of Chemical Reactivity
    RSC Specialist Periodical Reports (In Press)
  2. A. Cerda-Monje, R. Ormazaba-Toledo, C. Cardenas, P. Fuentealba, R. Contreras
    Regional Electrophilic and Nucleophilic Fukui Functions Efficiently Highlight the Lewis Acidic/Basic Regions in Ionic Liquids
    Journal of Physical Chemistry B 118 (13), 3696-3701

  1. H. Stoll, P. Fuentealba, L. von Szentpaly
    Comment on “Going beyond the frozen core approximation: Development of coordinate-dependent pseudopotentials and application to Na-2(+)” [J. Chem. Phys. 138, 054110 (2013)]
    Journal of Chemical Physics 39, 14

  1. F. H. Zadeh, P. Fuentealba, C.A. Cardenas and P. Ayers
    An Information-Theoretic Resolution of the Ambiguity in the Local Hardness
    Physical Chemistry Chemical Physics 16, 6019-6026
  2. P. Bultinck, C. Cardenas, P. Fuentealba, P.A. Johnson, P.W. Ayers
    How to Compute the Fukui Matrix and Function for Systems with (Quasi-)Degenerate States
    Journal Of Chemical Theory And Computation 10 (1), 202-210
  3. R. Donoso, C. Cardenas, P. Fuentealba
    Ab lnitio Molecular Dynamics Study of Small Alkali Metal Clusters
    Journal of Physical Chemistry A 118 (6), 1077-1083
  4. C. Aliaga, P. Fuentealba, M. C. Rezende, C. Cárdenas
    Mechanism of fluorophore quenching in a pre-fluorescent nitroxide probe: a theoretical illustration
    Chem. Phys. Lett. 593, 89-92

  1. P. Valencia, J. Manzur, A.M. García, V. Paredes-García, R. Cardoso-Gil, W. Schnelle, R. Kniep, P. Fuentealba, D. Venegas-Yazigi, E. Spodine
    Magnetic behavior of lamellar MnPS3 and CdPS3 composites with a paramagnetic manganese(III) macrocyclic guest
    Journal of the Chilean Chemical Society 58 (4), 1952-1956
  2. P. Bultinck, C. Cárdenas, P. Fuentealba, P.A. Johnson, P.W. Ayers
    Atomic charges and the electrostatic potential are ill-defined in degenerate ground states
    Journal of Chemical Theory and Computation 9 (11), 4779-4788
  3. L. Moura, M. Mishra, V. Bernales, P. Fuentealba, A.A. Padua, C.C. Santini, M.F. Costa Gomes
    Effect of Unsaturation on the Absorption of Ethane and Ethylene in Imidazolium-Based Ionic Liquids
    Journal of Physical Chemistry B 117, 7416-7425
  4. P. Fuentealba, C. Cárdenas
    On the exponential model for energy with respect to number of electrons
    Journal of Molecular Modeling 19, 2849-2853
  5. M. Muñoz, A. Varas, C. Cárdenas, J. Rogan, and P. Fuentealba
    Performance of Modified Lennard-Jones Potential to Seed abinitio Calculations of Small Cadmium Clusters
    Computational and Theoretical Chemistry 1021, 249-255
  6. F. Muñoz, C. Cárdenas, J. Rogan, J.A. Valdivia, P. Fuentealba and M. Kiwi
    Ab Initio Molecular Dynamics Simulations of Ti2 on C20 Collisions and C20Ti2 Configurations
    The Journal of Physical Chemistry C 117, 4287-4291

  1. E. Osorio, M.B. Ferraro, O.B. Oña, C. Cárdenas, P. Fuentealba and W. Tiznado
    Assembling Small Silicon Clusters Using Criteria of Maximum Matching of the Fukui Functions
    Journal Of Chemical Theory And Computation 7, 3995–4001

  1. C. Cárdenas, F. Muñoz, M. Muñoz, A. Bernardin and P. Fuentealba
    A new isomer of C20 and a way to a new C240
    Physical Chemistry Chemical Physics 14, 14810-14814

  1. P. Fuentealba, J. David and D. Guerra
    Density functional based reactivity parameters
    Theochem 943, 127
  2. N. Cornelli, P. Fuentealba, E. Castro and A. Jubert
    Theoretical characterization of some amides and esters
    J. Mol. Model. 16, 343
  3. P. Fuentealba, E. Florez and W. Tiznado
    Topological analysis of the Fukui function
    Chem. Theory Comput. 6, 1470
  4. S. Mejías, J. Orrego, J. Espinal, P. Fuentealba, F. Mondragon
    Exploration of the (ethanol)4-water heteropentamers potential energy surface by simulated annealing and ab initio molecular dynamics
    Int. Journal Quantum Chem. 111, 3080-3096

  1. J. Centeno and P. Fuentealba
    Big Bang Methodology applied to atomic clusters
    Int. J. Quantum Chem. 111, 1419-1435
  2. R. Mera, F. Mendizabal, C. Olea, S. Miranda and P. Fuentealba
    Computationally efficient and reliable bodn order measure
    Journal of Physical Chemistry A 115, Vol. 17, 4397-4405
  3. A. Perez, J. David, P. Fuentealba and A. Restrepo
    Octahedral complexes oft he series of actinides hexafluorides
    Chem. Phys. Lett. 507, 57-62
  4. C. Cárdenas, W. Tiznado, PW Ayers and P. Fuentealba
    The Fukui Potential and the Capacity of Charge and the Global Hardness of Atoms
    The Journal of Physical Chemistry A 115(11) 2325-2331
  5. E. Spodine, P. Valencia-Gálvez, P. Fuentealba, J. Manzur, D. Ruiz, D. Venegas-Yazigi, V. Paredes-García, R. Cardoso
    Magnetic Behaviour of MnPS3 Phases Intercalated by [Zn2L] 2+ (LH2: macrocyclic ligand obtained by condensation of 2-hydroxy-5-methyl-1,3-benzenedicarbaldehyde and 1,2-diaminobenzene
    J. Solid State Chemistry 184 1129-1134
  6. P. Fuentealba and J.C. Santos
    Electron Localization Function as a Measure of Electron Delocalization and Aromaticity
    Current Organic Chemistry 15, 3619-3626


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