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patricio armando fuentealba rosas

Profesor Titular

U. DE CHILE, FAC. CIENCIAS, DPTO. FISICA

Santiago, Chile

Electronic structure of atoms and molecules; Theoretical Chemistry; Chemical Reactivity; Conceptual DFT.

Bachelor of Science, UNIVERSIDAD DE CHILE. Chile, 1976
PhD in Chemistry , University of Stuttgart. Alemania, 1984

Full professor Full Time

UNIVERSIDAD DE CHILE

CIENCIAS

Santiago, Chile

1978 - A la fecha
Postodoctoral Fellow Full Time

The University of North Carolina

Chapel Hill, Estados Unidos

1990 - 1991

* Roberto Donoso. Master in Physics. Universidad de Chile. (1992).
* Yamil Simon. PhD in Physics. Universidad de Chile(1999).
* Eduardo Chamorro. PhD in Chemistry. Universidad de Chile (2001).
* Juan Carlos Santos. PhD in Chemistry. Universidad de Chile (2001)
* Bahdin Gomez. PhD in Chemistry. Universidad de Chile (2002).
* Junia Melin.PhD in Chemistry. Universidad de Chile (2003).
* William Tiznado. PhD in Chemistry. Universidad de Chile (2006)
* Lorena Meneses.PhD in Chemistry. Universidad de Chile(2005)
* Carlos Cárdenas. PhD in Molecular Physical Chemistry. Universidad Andrés Bello (2007)
* Doris Guerra. PhD in Molecular Physical Chemistry. Universidad Andrés Bello (2007)
* Paula Jaramillo. PhD in Molecular Physical Chemistry. Universidad Andrés Bello (2007)
* Natalia Inostroza. PhD in Molecular Physical Chemistry. Universidad Andrés Bello (2008)
* Jesus Centeno. PhD in Molecular Physical Chemistry. Universidad Andrés Bello (2010)
* Varinia Bernales. PhD in Chemistry. Universidad de Chile (2016).
* Roberto Donoso. PhD in Physics. Universidad de Chile. (2017).
* Boris Maulen. Master in Physics. Universidad de Chile. (2019).

Postdoct:
PhD Gonzalo Gutierrez (1998-1999)
PhD Yamil Simon (1999-2001)
PhD Eduardo Chamorro (2001-2002)
PhD Juan Carlos Santos (2002-2003)
PhD Bahdin Gomez (2003)
PhD Paola Campodónico (2004-2005)
PhD Walter Orellana (2004-2006)
PhD William Tiznado (2006-2007)
PhD Doris Guerra (2007-2008)
PhD Elizabeth Florez (2008-2010)
PhD Natalia Inostroza (2010-2014 )


Coulomb Explosion of Multi-charged Atomic Alkaline Metal Clusters Fuentealba, Pablo Article ISI SCOPUS Journal of Physical Chemistry A (2021)
The change in the nature of bonding in the Li2 dimer under confinement Article ISI INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2021)
Electronic structure of first and second row atoms under harmonic confinement Article ISI SCOPUS International Journal of Quantum Chemistry (2020)
On the chemical potential of the hydrogen atom Article ISI SCOPUS Theoretical Chemistry Accounts (2020)
Predicting Deprotonation Sites Using Alchemical Derivatives MuÃƒÂ±oz M.; Robles-Navarro A.; Fuentealba, P.; CÃƒÂ¡rdenas C. Article SCOPUS Journal of Physical Chemistry A (2020)
Electron Localization Function in Excited States: The Case of the Ultrafast Proton Transfer of the Salicylidene Methylamine Maulen, Boris; Fuentealba, Patricio Article ISI SCOPUS JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Formation of complex organic molecules in ice mantles: An ab initio molecular dynamics study Article ISI SCOPUS ASTRONOMY & ASTROPHYSICS (2019)
Interaction of Nitroxide Radicals with an Au-8 Nanostructure: Theoretical and Calorimetric Studies Aliaga, Carolina; Fuentealba, Patricio; Spodine, Evgenia Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY C (2019)
The Pauli principle and the confinement of electron pairs in a double well: Aspects of electronic bonding under pressure Fuentealba, Patricio Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2019)
Local electrophilicity Robles A.; Franco-Perez, M; Gazquez, JL Article ISI SCOPUS JOURNAL OF MOLECULAR MODELING (2018)
Understanding Chemical Reactivity in Extended Systems: Exploring Models of Chemical Softness in Carbon Nanotubes Contreras J Article ISI SCOPUS ACTA PHYSICO-CHIMICA SINICA (2018)
Proposal of a Simple and Effective Local Reactivity Descriptor through a Topological Analysis of an Orbital-Weighted Fukui Function Pino-Rios, Ricardo; Ya?ez, Osvaldo; Inostroza, Diego Article ISI SCOPUS JOURNAL OF COMPUTATIONAL CHEMISTRY (2017)
A numerical study of the Lieb-Thirring kinetic energy lower bound Inostroza D.; CÃ¡rdenas C.; Fuentealba, P. Article ISI SCOPUS MOLECULAR PHYSICS (2016)
Boron avoids cycloalkane-like structures in the LinBnH2n series Torres-Vega, J. J.; Fuentealba, P.; Islas R.; Tiznado W. Article ISI SCOPUS NEW JOURNAL OF CHEMISTRY (2016)
Ferromagnetic bond of Li-10 cluster: An alternative approach in terms of effective ferromagnetic sites Donoso, Roberto; Rössler, Jaime; Llano-Gil, Sandra Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2016)
Insights into the hydrogen dissociation mechanism on lithium edge-decorated carbon rings and graphene nanoribbon Vásquez-Espinal, Alejandro; Pino-Rios, Ricardo Article ISI SCOPUS International Journal of Hydrogen Energy (2016)
Density functional theory of chemical reactivity Fuentealba, P.; CÃ¡rdenas C. Article SCOPUS Chemical Modelling (2015)
First copper(II) phase M ' 0.2Mn0.8PS3 center dot 0.25H(2)O and analogous M ' = Co-II, Ni-II and Zn-II materials obtained by microwave assisted synthesis Fuentealba, P.; Cortes C.; Audebrand N.; Le Fur E.; Paredes-Garcia, V; Venegas-Yazigi D.; Manzur J.; Spodine E. Article ISI SCOPUS Dalton Transactions (2015)
Isobutane as a probe of the structure of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids Pison, L; Bernales, V; Fuentealba, P.; Padua, AAH; Gomes, MFC Article ISI SCOPUS Journal of Chemical Thermodynamics (2015)
Ab lnitio Molecular Dynamics Study of Small Alkali Metal Clusters Donoso R.; CÃ¡rdenas C.; Fuentealba, P. Article ISI JOURNAL OF PHYSICAL CHEMISTRY A (2014)
An information-theoretic resolution of the ambiguity in the local hardness Zadeh, FH; Fuentealba, P.; CÃ¡rdenas C.; Ayers P.W. Article ISI Physical Chemistry Chemical Physics (2014)
How to Compute the Fukui Matrix and Function for Systems with (Quasi-)Degenerate States Bultinck P.; CÃ¡rdenas C.; Fuentealba, P.; Johnson P.A. Article ISI JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Mechanism of fluorophore quenching in a pre-fluorescent nitroxide probe: A theoretical illustration Aliaga C.; Fuentealba, P.; Rezende M.C.; CÃ¡rdenas C. Article ISI Chemical Physics Letters (2014)
Reaction channels and spectroscopic constants of astrophysical relevant Silicon bearing molecules SiC3H+ and SiC3H Pino, NI; CÃ¡rdenas C.; Fuentealba, P. Article ISI SCOPUS MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY (2014)
Regional Electrophilic and Nucleophilic Fukui Functions Efficiently Highlight the Lewis Acidic/Basic Regions in Ionic Liquids Cerda-Monje, A; Ormazaba-Toledo, R; CÃ¡rdenas C.; Fuentealba, P.; Contreras R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY B (2014)
Ab Initio Molecular Dynamics Simulations of Ti-2 on C-20 Collisions and C20Ti2 Configurations Munoz F.; CÃ¡rdenas C.; Rogan J.; Valdivia J.A.; Fuentealba, P.; Kiwi M. Article ISI SCOPUS Journal of Physical Chemistry C (2013)
Atomic Charges and the Electrostatic Potential Are Ill-Defined in Degenerate Ground States Bultinck P.; CÃ¡rdenas C.; Fuentealba, P.; Ayers P.W. Article ISI SCOPUS Journal of Chemical Theory and Computation (2013)
Effect of Unsaturation on the Absorption of Ethane and Ethylene in Imidazolium-Based Ionic Liquids Moura L.; Mishra M.; Bernales, V; Fuentealba, P.; Padua, AAH; Santini, CC; Gomes, MFC Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY B (2013)
On the exponential model for energy with respect to number of electrons Fuentealba, P.; CÃ¡rdenas C. Article ISI SCOPUS Journal of Molecular Modeling (2013)
Performance of modified Lennard-Jones potential to seed ab initio calculations of small cadmium clusters Munoz, M.; Varas A.; CÃ¡rdenas C.; Rogan J.; Fuentealba, P. Article ISI SCOPUS Computational and Theoretical Chemistry (2013)
A new isomer of C-20 and a way to a new C-240 CÃ¡rdenas C.; Munoz F.; Munoz, M.; Bernardin A.; Fuentealba, P. Article ISI SCOPUS Physical Chemistry Chemical Physics (2012)
A Computationally Efficient and Reliable Bond Order Measure Mera-Adasme R.; Mendizabal F.; Olea Azar C.; Miranda-Rojas S.; Fuentealba, P. Article ISI SCOPUS Journal of Physical Chemistry A (2011)
Assembling Small Silicon Clusters Using Criteria of Maximum Matching of the Fukui Functions Osorio E.; Ferraro, MB; Ona, OB; CÃ¡rdenas C.; Fuentealba, P.; Tiznado W. Article ISI SCOPUS JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Big Bang Methodology Applied to Atomic Clusters Centeno J.; Fuentealba, P. Article ISI SCOPUS International Journal of Quantum Chemistry (2011)
Electron Localization Function as a Measure of Electron Delocalization and Aromaticity Fuentealba, P.; Santos J.C. Article ISI Current Organic Chemistry (2011)
Exploration of the (Ethanol)(4)-Water Heteropentamers Potential Energy Surface by Simulated Annealing and Ab Initio Molecular Dynamics Fuentealba, P.; Mondragon, F Article ISI SCOPUS International Journal of Quantum Chemistry (2011)
Octahedral complexes of the series of actinides hexafluorides AnF(6) Pérez-Villa, A; David J.; Fuentealba, P.; Restrepo A. Article ISI SCOPUS Chemical Physics Letters (2011)
The Fukui Potential and the Capacity of Charge and the Global Hardness of Atoms CÃ¡rdenas C.; Tiznado W.; Ayers P.W.; Fuentealba, P. Article ISI SCOPUS Journal of Physical Chemistry A (2011)
Density functional based reactivity parameters: Thermodynamic or kinetic concepts? Fuentealba, P.; David J.; Guerra D. Article ISI SCOPUS Journal of Molecular Structure: THEOCHEM (2010)
Theoretical characterization of SOME amides and esters DERIVATIVES of valproic acid Comelli, NC; Fuentealba, P.; Castro E.A.; Jubert, AH Article ISI SCOPUS Journal of Molecular Modeling (2010)
Topological Analysis of the Fukui Function Fuentealba, P.; Flórez, E; Tiznado W. Article ISI SCOPUS Journal of Chemical Theory and Computation (2010)
A Theoretical Study of Alkali Metal Atomic Clusters: From Li-n to Cs-n (n=2-8) Flórez, E; Fuentealba, P. Article ISI SCOPUS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2009)
Endohedral Cluster of Li10O with T-d Symmetry Centeno J.; Contreras R.; Fuentealba, P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2009)
On the Gas-Phase Electronic Chemical Potential of Anions Perez-Mendez, C; Fuentealba, P.; Contreras R. Article ISI SCOPUS JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
On the Nucleophilicity of Boryllithium Compounds. A Theoretical Study Jaramillo P.; Perez P.; Fuentealba, P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2009)
On the Principle of Spin Potential Equalization Guerra D.; Contreras R.; Cedillo, A; Aizman, A; Fuentealba, P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Theoretical Study of the Structure and Electronic Properties of Si3On- and Si6On- (n=1-6) Clusters. Fragmentation and Formation Patterns Tiznado W.; Ona, OB; Caputo, MC; Ferraro, MB; Fuentealba, P. Article ISI SCOPUS JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Chapter 5 Understanding and using the electron localization function Fuentealba, P.; Chamorro E.; Santos, J. C. Article SCOPUS Theor Comput Chem (2008)
Chemical reactivity of oxygen vacancies on the MgO surface: Reactions with CO2, NO2 and metals Flórez, E; Fuentealba, P.; Mondragon, F Article ISI SCOPUS Catalysis Today (2008)
Effect of surface site on the spin state of first-row transition metals adsorbed on MgO: Embedded cluster model and hybrid density functional theory calculations Flórez, E; Mondragon, F; Fuentealba, P.; Illas, F Article ISI SCOPUS PHYSICAL REVIEW B (2008)
Relationship between the electrophilicity and sigma(p) Hammett constant in Baeyer-Villiger reactions Meneses L.; Araya A.; Pilaquinga F.; Fuentealba, P. Article ISI SCOPUS Chemical Physics Letters (2008)
Relativistic effects on the hexafluorides of group 10 metals David J.; Fuentealba, P.; Restrepo A. Article ISI SCOPUS Chemical Physics Letters (2008)
Stochastic search of the quantum conformational space of small lithium and bimetallic lithium-sodium clusters Flórez, E; Hadad, CZ; Fuentealba, P.; Restrepo A. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Theoretical ro-vibrational spectrum of CF(+) Inostroza N.; Senent, ML; Fuentealba, P. Article ISI SCOPUS SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2008)
Theoretical study of the surface reactivity of alkaline earth oxides: Local density of states evaluation of the local softness CÃ¡rdenas C.; De Proft F.; Chamorro E.; Fuentealba, P.; Geerlings P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2008)
Aromaticity and electronic structure of silabenzenes. Possible existence of a new cluster Si6Li6 Santos J.C.; Fuentealba, P. Article ISI SCOPUS Chemical Physics Letters (2007)
beta-Scission of thioimidoyl radicals (R-1-N-C-center dot=S-R-2): A theoretical scale of radical leaving group ability Guerra D.; Fuentealba, P.; Aizman, A; Contreras R. Article ISI SCOPUS Chemical Physics Letters (2007)
Density functional theory characterization of the formation of copper clusters on F-s and F-s(+) centers on a MgO surface Flórez, E; Mondragon, F; Truong, TN; Fuentealba, P. Article ISI SCOPUS SURFACE SCIENCE (2007)
Further exploration of the Fukui function, hardness, and other reactivity indices and its relationships within the Kohn-Sham scheme Fuentealba, P.; Chamorro E.; CÃ¡rdenas C. Article ISI SCOPUS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2007)
Local hardness: An application to electrophilic additions Meneses L.; Araya A.; Pilaquinga F.; Contreras R.; Fuentealba, P. Article ISI SCOPUS Chemical Physics Letters (2007)
Nuclear fukui functions from nonintegral electron number calculations CÃ¡rdenas C.; Chamorro E.; Galván, M; Fuentealba, P. Article ISI SCOPUS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2007)
Relationship between basicity and nucleophilicity Jaramillo P.; Perez P.; Fuentealba, P. Article ISI SCOPUS JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2007)
Definition of a nucleophilicity scale Jaramillo P.; Perez P.; Contreras R.; Tiznado W.; Fuentealba, P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Effect of Ni and Pd on the geometry, electronic properties, and active sites of copper clusters Flórez, E; Mondragon, F; Fuentealba, P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Experimental and theoretical study on the substitution reactions of aryl 2,4-dinitrophenyl carbonates with quinuclidines Castro E.A.; Campodónico, PR; Contreras R.; Fuentealba, P.; Leis, JR; Garcia-Rio L.; Saez, JA; Domingo L.R. Article ISI SCOPUS TETRAHEDRON (2006)
Hardness and softness kernels, and related indices in the spin polarized version of density functional theory Guerra D.; Contreras R.; Perez P.; Fuentealba, P. Article ISI SCOPUS Chemical Physics Letters (2006)
Homofugality: A new reactivity index describing the leaving group ability in homolytic substitution reactions Guerra D.; Castillo R.; Andres, J.; Fuentealba, P.; Aizman, A; Contreras R. Article ISI SCOPUS Chemical Physics Letters (2006)
Modified genetic algorithms to model cluster structures in medium-sized silicon clusters: Si-18-Si-60 Ona, O; Bazterra, VE; Caputo, MC; Facelli, JC; Fuentealba, P.; Ferraro, MB Article ISI SCOPUS PHYSICAL REVIEW A (2006)
Nuclear reactivity indices in the context of spin polarized density functional theory CÃ¡rdenas C.; Lamsabhi, AM; Fuentealba, P. Article ISI SCOPUS Chemical Physics (2006)
Nucleophilicity scale for n- and pi-nucleophiles Jaramillo P.; Fuentealba, P.; Perez P. Article ISI SCOPUS Chemical Physics Letters (2006)
On the variations of electronic chemical potential and chemical hardness induced by solvent effects Meneses L.; Fuentealba, P.; Contreras R. Article ISI SCOPUS Chemical Physics Letters (2006)
Relationship between singlet-triplet excitation energies and the Kohn-Sham orbitals obtained with potentials that exhibit a wrong asymptotic behavior Vazquez-Mayagoitia, A; Vargas R.; Nichols, JA; Fuentealba, P.; Garza J. Article ISI SCOPUS Chemical Physics Letters (2006)
Structural, electronic and magnetic properties of vacancies in single-walled carbon nanotubes Orellana W.; Fuentealba, P. Article ISI SCOPUS SURFACE SCIENCE (2006)
Transition-metal atom adsorption on an F-s defect site of MgO (100) and the interaction with a hydrogen atom Flórez, E; Mondragon, F; Truong, TN; Fuentealba, P. Article ISI SCOPUS PHYSICAL REVIEW B (2006)
A theoretical study on the reaction mechanism for the Bergman cyclization from the perspective of the electron localization function and catastrophe theory Santos J.C.; Andres, J.; Aizman, A; Fuentealba, P.; Polo, V. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2005)
An aromaticity scale based on the topological analysis of the electron localization function including sigma and pi contributions Santos J.C.; Andres, J.; Aizman, A; Fuentealba, P. Article ISI SCOPUS JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)
Comparison among four different ways to condense the Fukui function Tiznado W.; Chamorro E.; Contreras R.; Fuentealba, P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Condensation of the highest occupied molecular orbital within the electron localization function domains Chamorro E.; Duque, M; CÃ¡rdenas C.; Santos C.; Tiznado W.; Fuentealba, P. Article ISI SCOPUS Journal of Chemical Sciences (2005)
Electronic properties of small bimetallic LinCum (n,m <= 4) clusters. A comparison with Li-n and Cu-m clusters Fuentealba, P.; Padilla-Campos L. Article ISI SCOPUS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2005)
Pseudopotential and electron propagator methods for the calculation of the photoelectron spectra of anionic silicon clusters: Predictions on Si-10(-) Fuentealba, P.; Ortiz, JV Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2005)
Relationship between the electrophilicity of substituting agents and substrate selectivity in Friedel-Crafts reactions Meneses L.; Fuentealba, P.; Contreras R. Article ISI SCOPUS TETRAHEDRON (2005)
Relationships between the electrophilicity index and experimental rate coefficients for the aminolysis of thiolearbonates and dithiocarbonates Campodonico, RR; Fuentealba, P.; Castro E.A.; Contreras R. Article ISI SCOPUS JOURNAL OF ORGANIC CHEMISTRY (2005)
Theoretical study of the adsorption of H on Si-n clusters, (n=3-10) Tiznado W.; Ona, OB; Bazterra, VE; Caputo, MC; Facelli, JC; Ferraro, MB; Fuentealba, P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2005)
Theoretical study of the interaction of molecular oxygen with copper clusters Flórez, E; Tiznado W.; Mondragon, F; Fuentealba, P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2005)
A proposal for a new local hardness as selectivity index Meneses L.; Tiznado W.; Contreras R.; Fuentealba, P. Article ISI SCOPUS Chemical Physics Letters (2004)
Calculated geometry and paramagnetic hyperfine structure of the Cu-7 cluster Arratia-Perez R.; Alvarez-Thon L.; Fuentealba, P. Article ISI Chemical Physics Letters (2004)
Condensation of frontier molecular orbital Fukui functions Bulat, FA; Chamorro E.; Fuentealba, P.; Toro-Labbe A. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Local reactivity index as descriptor of benzene adsorption in cluster models of exchanged zeolite-Y Santos J.C.; Chamorro E.; Contreras R.; Fuentealba, P. Article ISI SCOPUS Chemical Physics Letters (2004)
Modified genetic algorithms to model atomic cluster structures: CuSi clusters Ona, O; Bazterra, VE; Caputo, MC; Ferraro, MB; Fuentealba, P.; Facelli, JC Article ISI SCOPUS JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2004)
Modified genetic algorithms to model cluster structures in medium-size silicon clusters Bazterra, VE; Ona, O; Caputo, MC; Ferraro, MB; Fuentealba, P.; Facelli, JC Article ISI SCOPUS PHYSICAL REVIEW A (2004)
Sigma-pi separation of the electron localization function and aromaticity Santos J.C.; Tiznado W.; Contreras R.; Fuentealba, P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2004)
The static dipole polarizability of aluminium atom: discrepancy between theory and experiment Fuentealba, P. Article ISI SCOPUS Chemical Physics Letters (2004)
Application of the electron localization function to radical systems Melin, J; Fuentealba, P. Article ISI SCOPUS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2003)
Chemical reactivity in the {N, N-S, nu(r)} space Melin, J; Aparicio, F; Galván, M; Fuentealba, P.; Contreras R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2003)
CORRECTING THE ATOMIC HIGHEST OCCUPIED ORBITAL ENERGY WITHIN AN HYBRID DENSITY FUNCTIONAL MODEL Fuentealba, P.; Reyes O. Article ISI SCIELO Journal of the Chilean Chemical Society (2003)
Electron probability distribution in AIM and ELF basins Chamorro E.; Fuentealba, P.; Savin A. Article ISI SCOPUS JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
On the location of the electron lone pair of XeF6 and related molecules Simon-Manso, Y; Fuentealba, P. Article ISI SCOPUS JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2003)
The maximum hardness and minimum polarizability principles as the basis for the study of reaction profiles Fuentealba, P.; Contreras R. Article ISI THEORETICAL CHEMISTRY ACCOUNTS (2003)
Theoretical characterization of linear [n]-ladderanes and some isomers Santos J.C.; Fuentealba, P. Article ISI SCOPUS Chemical Physics Letters (2003)
Theoretical study of the adsorption of oxygen on a Cu(100) surface and the coadsorption with alkali atoms Padilla-Campos L.; Fuentealba, P. Article ISI THEORETICAL CHEMISTRY ACCOUNTS (2003)
Variation of the electrophilicity index along the reaction path Chamorro E.; Chattaraj P.K.; Fuentealba, P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2003)
A density functional study of the Claisen rearrangement of allyl aryl ether, allyl arylamine, allyl aryl thio ether, and a series of meta-substituted molecules through reactivity and selectivity profiles Chattaraj P.K.; Chamorro E.; Contreras R.; Fuentealba, P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Atomic spin-density polarization index and atomic spin-density information entropy distance Fuentealba, P.; Melin, J Article ISI SCOPUS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2002)
Local reactivity index defined through the density of states describes the basicity of alkaline-exchanged zeolites Santos J.C.; Contreras R.; Chamorro E.; Fuentealba, P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2002)
On the theoretical determination of the static dipole polarizability of intermediate size silicon clusters Bazterra, VE; Caputo, MC; Ferraro, MB; Fuentealba, P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2002)
The bonding nature of some simple sigmatropic transition states from the topological analysis of the electron localization function Chamorro E.; Santos J.C.; Contreras R.; Fuentealba, P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Theoretical study of intramolecular proton transfer reactions in some thiooxalic acid derivatives Chamorro E.; Toro-Labbe A.; Fuentealba, P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Bonding analysis of hydrogenated lithium clusters using the electron localization function Fuentealba, P.; Savin A. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Higher order derivatives for nuclear indexes in the framework of density functional theory Chamorro E.; Fuentealba, P.; Contreras R. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2001)
Scrutiny of the HSAB principle in some representative acid-base reactions Chattaraj P.K.; Chamorro E.; Santos J.; Fuentealba, P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Topological analysis of the electron localization function applied to the study of the [1,3] sigmatropic shift of fluorine in 3-fluorpropene Chamorro E.; Santos J.C.; Contreras R.; Fuentealba, P. Article ISI JOURNAL OF CHEMICAL PHYSICS (2001)
Anatomical substrate for separate processing of ascending and descending visceral information in the nucleus of the solitary tract of the rat Acuna-Goycolea, C; Fuentealba, P.; Torrealba F. Article ISI SCOPUS BRAIN RESEARCH (2000)
Electronic structure and bonding of the ground state of alkaline-earth-metal monoxides and carbides Fuentealba, P.; Savin A. Article ISI JOURNAL OF PHYSICAL CHEMISTRY A (2000)
Empirical energy-density relationships for the analysis of substituent effects in chemical reactivity Perez P.; Simon-Manso, Y; Aizman, A; Fuentealba, P.; Contreras R. Article ISI SCOPUS JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
Molecular electronic excitations and the minimum polarizability principle Fuentealba, P.; Simon-Manso, Y; Chattaraj P.K. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2000)
On the condensed Fukui function Fuentealba, P.; Perez P.; Contreras R. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2000)
Some relationships within the nonlocal (pair-site) chemical reactivity formalism of density functional theory Chamorro E.; Contreras R.; Fuentealba, P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2000)
Woodward-Hoffmann rule in the light of the principles of maximum hardness and minimum polarizability: DFT and ab initio SCF studies Chattaraj P.K.; Fuentealba, P.; Contreras R. Article ISI SCOPUS JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)


Dynamics and electronic structure of atomic clusters Fuentealba, Patricio; Springborg, Michael BookSection (2018)


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


Electronic structure and reactivity of atomic and molecular clusters Fuentealba, Patricio Proyecto (2018)
Exploring the dynamics and reactivity of atomic and molecular clusters Fuentealba, Patricio Proyecto (2013)
Conceptos químicos en teoría del funcional de la densidad y sus aplicaciones a moléculas y clusters Fuentealba, Patricio Proyecto (2005)
Chemical reactivity of molecules, cluster and extended systems from a theoretical perspective. Fuentealba, Patricio Proyecto (0)


Chemical Reactivity Descriptors for Ambiphilic Reagents: Dual Descriptor, Local Hypersoftness, and Electrostatic Potential CÃ¡rdenas C.; Rabi, N.; Ayers P.W.; Morell C.; Jaramillo P.; Fuentealba, P. Review ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Density-functional theory with additional basic variables: Extended Legendre transform Ayers P.W.; Fuentealba, P. Review ISI SCOPUS PHYSICAL REVIEW A (2009)
Modeling Pressure Effects on the Electronic Properties of Ca, Sr, and Ba by the Confined Atoms Model Guerra D.; Vargas R.; Fuentealba, P.; Garza J. Review ISI ADVANCES IN QUANTUM CHEMISTRY, VOL 44 (2009)
Solvent Effects on Global Reactivity Properties for Neutral and Charged Systems Using the Sequential Monte Carlo Quantum Mechanics Model Jaramillo P.; Perez P.; Fuentealba, P.; Canuto, S; Coutinho, K Review ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY B (2009)

Fernando Mendizabal

Full Professor

Chemistry

UNIVERSIDAD DE CHILE - FACULTAD DE CIENCIAS

Santiago, Chile

EDUARDO CHAMORRO

Académico Investigador

Universidad San Sebastián

Santiago, Chile

José Santos

Professor

Chemistry

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

claudio olea

Full Professor

Inorganica y Analitica

UNIVERSIDAD DE CHILE

Santiago, Chile

José Rogan

PROFESOR TITULAR

FISICA

FACULTAD DE CIENCIAS, UNIVERSIDAD DE CHILE

Santiago, Chile

Juan Valdivia

Full Professor

Fisica

DEPARTAMENTO DE FISICA, FACULTAD DE CIENCIAS, UNIVERSIDAD DE CHILE

Santiago, Chile

Walter Orellana

Full Professor

Physics and Astronomy

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Juan Santos

UNIVERSIDAD ANDRES BELLO

santiago, Chile

Patricia Perez

Full Professor

Ciencias Químicas

UNIVERSIDAD ANDRÉS BELLO

Santiago, Chile

Ramiro Arratia

DIRECTOR DOCTORADO

CIENCIAS QUIMICAS

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Paola Campodonico

Director of Centro de Química Médica and Associate Professor

CENTRE OF MEDICINAL CHEMISTRY, FACULTY OF MEDICINE, UNIVERSIDAD DEL DESARROLLO

Santiago, Chile

128

patricio fuentealba

Profesor Titular

Física

U. DE CHILE, FAC. CIENCIAS, DPTO. FISICA

Santiago, Chile

Lina Ruiz

Academico Docente Investigador

Instituto de Ciencias Biomédicas

Universidad Autónoma de Chile

Santiago, Chile

Luis Alvarez

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Miguel Kiwi

Full Professor

Physics

FACULTAD DE CIENCIAS, UNIVERSIDAD DE CHILE

Santiago, Chile

Carolina Aliaga

Profesora Titular

Ciencias de Ambiente

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

Tatiana Gómez

Assistant Proffesor

Engineering

UNIVERSIDAD AUTÓNOMA DE CHILE

SANTIAGO, Chile

Francisco Munoz

Associate Professor

Physics

UNIVERSIDAD DE CHILE, FAC. CIENCIAS, DEPTO FISICA

Santiago, Chile

Evgenia Spodine

Full Professor

Química Inorgánica y Analítica

UNIVERSIDAD DE CHILE

Santiago, Chile

Diego Venegas

Full Professor

Quimica de los Materiales

UNIVERSIDAD DE SANTIAGO DE CHILE, FACULTAD DE QUÍMICA Y BIOLOGÍA, DEPARTAMENTO DE QUÍMICA DE LOS MATERIALES

Santiago, Chile

Sebastián Miranda

Profesor Asistente

Departamento de Ciencias Químicas

UNIVERSIDAD NACIONAL ANDRES BELLO

Santiago, Chile

Edison Osorio

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

William Tiznado

Full professor

Chemical Sciences

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Carlos Cardenas

Professor

Physics

UNIVERSIDAD DE CHILE

Santiago, Chile

Verónica Paredes

Academic

Ciencias Químicas

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Rafael Islas

Profesor

Departamento de Ciencias Química

Universidad Andrés Bello

Santiago, Chile

Ricardo Pino

Académico Investigador

Ciencias Químicas y Farmaceuticas

Universidad Arturo Prat

Iquique, Chile

Renato Contreras

professor

Quimica

Universidad de Chile

Santiago, Chile

Raul Mera

Profesor Asistente

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

Pablo Fuentealba

Profesor Asistente

Departamento Química Inorgánica y Analítica

Universidad de Chile

Santiago, Chile

Alejandro Vásquez

Profesor Asistente

Química y Farmacia

Universidad Arturo Prat

Iquique, Chile

Alejandro Toro

PROFESOR TITULAR

Química Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

Natalia Inostroza

Associate professor

Facultad de Ingeniería

Universidad Autónoma de Chile

San Miguelsantiago, Chile

osvaldo yañez

Académico Investigador

Facultad de Ingeniería y Negocios

Universidad de Las Américas

Santiago, Chile

Alejandro Varas

Investigador

Cedenna

Santiago, Chile

Alejandro Bernardin

Investigador postdoctoral

Fundación Ciencia y Vida

Santiago, Chile

NELSON ARIAS

Investigador Fondecyt

Ciencias Químicas

Universidad Andrés Bello

Santiago, Chile

Catalina Cortés

Posdoctorante

Química

Universidad de Chile

Santiago, Chile

patricio armando fuentealba rosas

Líneas de Investigación

Educación

Bachelor of Science, UNIVERSIDAD DE CHILE. Chile, 1976

PhD in Chemistry , University of Stuttgart. Alemania, 1984

Experiencia Académica

Full professor Full Time

Postodoctoral Fellow Full Time

Formación de Capital Humano

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