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Carlos Alberto Cardenas Valencia

Professor

UNIVERSIDAD DE CHILE

Santiago, Chile

Chemical reactivity. Electronic structure in atoms and molecules. Ab initio molecular dynamics to understand complex phenomena in molecular systems. Development of first principle methods and tools for materials design. Matter-radiation interaction.

Mechanical Engineer, Universidad Nacional de Colombia. Colombia, 2003
Molecular Physical Chemistry, Universidad Andres Bello. Chile, 2007

SHARCNET Postodoctoral Fellow Full Time

McMaster University

Hamilton, Canada

2008 - 2010
Associate Professor Full Time

UNIVERSIDAD DE CHILE

Faculty of Sciences

Santiago, Chile

2010 - At present
Visiting Professor Other

Universidad Nacional de Colombia, Sede Medellin

SCIENCES

Medellin, Colombia

2015 - 2015
Technical advisor Other

UNIVERSIDAD DE CHILE

Santiago, Chile

2012 - 2012
Associate Researcher Part Time

Center for the Development of Nanoscience and Nanotechnology (CEDENNA)

Santiago, Chile

2011 - At present
Full professor Full Time

UNIVERSIDAD DE CHILE

Science

Santiago, Chile

2022 - At present

In Progress:
* Wilver Muriel. PhD in Physics. Universidad de Chile
* Nicolas Barrera. PhD in Chemistry. Sorbonne Université.

Completed:
* Nicolas Barrera. Master in Physics. Universidad de Chile. 2024
* Trinidad Novoa. PhD in Chemistry and Mathematics. Sorbonne Université. (2021-2023)
* Edgar Barriga. PhD in Physics. Universidad de Chile. 2023
* Andrea Echeverri. PhD in Chemistry. Universidad de Chile. 2023
* Fernando Vergara. Master in Physics. Universidad de Chile. 2023
* Crisitian Guerra. PhD in Molecular Physical Chemistry. Universidad Andres Bello. (2022)
* Mariano Rodríguez. Postdoctoral Fellow, Fondecyt. Universidad de Chile (2020-2022)
* Trinidad Novoa. Master in Physics. Universidad de Chile. 2020
* Andres Robles. Master in Chemistry. Universidad de Chile. 2020
* Cesar Jara. Master in Physics. Universidad de Chile. 2020.
* Boris Maulén. Electron Localization in Intramolecular Proton Transfer. Master in Physics. Universidad de Chie. 2019.
* Macarena del Pilar Muñoz González. Alchemical transformations in clusters and molecules. PhD in Physics. Universidad de Chie. 2018.
* Roberto Simón Donoso. Application of Ab-initio molecular dynamics in atomic clusters. PhD in Physics. Universidad de Chie. 2017.
* Macarena del Pilar Muñoz González. Study of Cd and Hg nanostructures using computational methods. Master in Physics. Universidad de Chile. 2013.

Santander Scholarship Young Researchers

UNIVERSIDAD DE CHILE

Chile, 2015

5000 euros for research stay in the Photonics Group of the Universidad Nacional of Colombia. Topic of study: implementation of molecular dynamics protocols in the excited state for the theoretical-experimental characterization of the proton transfer in the excited state.
Best national score in the Higher Education Quality Examinations

UNIV. NACIONAL DE COLOMBIA

Colombia, 2003

Best national score in the Higher Education Quality Examinations of Mechanical Engineering, 2003 cohort.
Sharcnet Reaserch Fellowship

MCMASTER UNIVERSITY

Canada, 2007

Sharcnet Reaserch Fellowship to do a postdoctoral stay in Computer Sciences in McMaster University


Electrically Switchable Single-Photon Emission from Carbon Defects in hBN via a Ferroelectric In<sub>2</sub>Se<sub>3</sub> Substrate Muriel, Wilver A.; Chacon, Ignacio; Munoz, Francisco; Cardenas, Carlos Article ISI ACS APPLIED ELECTRONIC MATERIALS (2026)
FukuiGrid: A Python code for c-DFT in solid-state chemistry Barrera, Nicolas F.; Cabezas-Escares, Javiera; Calatayud, Monica; Munoz, Francisco; Gomez, Tatiana; Cardenas, Carlos Article ISI COMPUTER PHYSICS COMMUNICATIONS (2026)
Isotopic effects in rotational de-excitation of H<sub>2</sub>CO isotopologues (HDCO and D<sub>2</sub>CO) by He at low temperatures Santelices Rosas, Salvador; Cabrera-Gonzalez, Lisan D.; Cardenas, Carlos; Denis-Apizar, Otoniel Article ISI ASTRONOMY & ASTROPHYSICS (2026)
Ultrafast Cation-Dication Dynamics in Ammonia Borane: H-Migration to Roaming H<sub>2</sub> and Reduced H<sub>3</sub> <SUP>+</SUP> Formation under Strong-Field Ionization Kwon, Sung; Katturi, Naga Krishnakanth; Moreno, Bruno I.; Cardenas, Carlos; Dantus, Marcos Article ISI JOURNAL OF PHYSICAL CHEMISTRY A (2026)
A computational survey of layered mixed phases Mn1-xNixPS3 for water splitting: Modulation of the band gap and the oxygen evolution reaction Forero-Correa, Nicolas; Aliaga, Carolina; Spodine, Evgenia; Cortes, Catalina; Gomez, Tatiana; Cabezas, Javiera; Munoz, Francisco; Cardenas, Carlos Article ISI SCOPUS International Journal of Hydrogen Energy (2025)
Excited State Aromaticity Unveiled by Electron Localization Function Topology Echeverri A.; Leyva-Parra L.; Santos J.C.; Gomez T.; Tiznado W.; CÃ¡rdenas C. Article ISI SCOPUS ChemPhysChem (2025)
Fukui Function and Fukui Potential for Solid-State Chemistry: Application to Surface Reactivity Barrera, N; Cabezas-Escares, J.; Munoz F.; Muriel, WA; Gomez T.; Calatayud M.; CÃ¡rdenas C. Article ISI SCOPUS Journal of Chemical Theory and Computation (2025)
Interpreting Ring Currents from Hückel-Guided σ- and π-Electron Delocalization in Small Boron Rings Sacanamboy, DS; Garcia-Argote, W; Pumachagua-Huertas R.; CÃ¡rdenas C.; Leyva-Parra L.; Ruiz L.; Tiznado W. Article ISI SCOPUS Molecules (2025)
Optical properties and spin states of inter-layer carbon defect pairs in hexagonal boron nitride: a first-principles study Chacon, I; Echeverri A.; CÃ¡rdenas C.; Munoz F. Article ISI SCOPUS Physical Chemistry Chemical Physics (2025)
Proposal of a reaction mechanism for the thermal carbonation of ethylene oxide by CO2 in ionic liquids Muñoz-Espinoza, J; CÃ¡rdenas C.; Contreras R. Article ISI SCOPUS Journal of Chemical Physics (2025)
The electron localization function and the chemical interpretation of Fermi orbital descriptors in Fermi-Lowdin self-interaction correction calculations Nguyen, DB; CÃ¡rdenas C.; Lira J.; Perdew J.P.; Jackson, KA; Peralta, JE Article ISI SCOPUS Journal of Chemical Physics (2025)
Electronic structure and vibrational stability of copper-substituted lead apatite LK-99 Article ISI SCOPUS Physical Review B (2024)
Exploring the catalytic potential of AuxPt4-x clusters on TiC and ZrC (001) surfaces for hydrogen dissociation Gomez, Tatiana Article ISI SCOPUS Applied Surface Science (2024)
Floquet Engineering of a Diatomic Molecule through a Bichromatic Radiation Field Barriga, Edgar Article ISI SCOPUS Journal of Chemical Theory and Computation (2024)
Introducing electron correlation in solid-state calculations for superconducting states Article ISI SCOPUS Faraday Discussions (2024)
Introducing KICK-MEP: exploring potential energy surfaces in systems with significant non-covalent interactions RUIZ-HINCAPIE, LINA MARIA Article ISI SCOPUS Journal of Molecular Modeling (2024)
Manipulating the Stacking in Two-Dimensional Hexagonal Boron Nitride Bilayers: Implications for Defect-Based Single Photon Emitters Muriel, Wilver A.; Cabezas-Escares, Javiera Article ISI SCOPUS ACS Applied Nano Materials (2024)
On the link between the reaction force constant and conceptual DFT Chakraborty, Debajit; Gomez, Tatiana; Fuentealba, Patricio Article ISI SCOPUS Journal of Molecular Modeling (2024)
Removal of Mo(VI), Pb(II), and Cu(II) from wastewater using electrospun cellulose acetate/chitosan biopolymer fibers GOMEZ-CANO, TATIANA MARIA Article ISI SCOPUS International Journal of Biological Macromolecules (2024)
Additive manufacturing in armor and military applications: research, materials, processing technologies, perspectives, and challenges Gutierrez-Velazquez, Elkin I.; Escobedo, Juan P. Article ISI SCOPUS Journal of Materials Research and Technology (2023)
Calculation of the ELF in the excited state with single-determinant methods Article ISI SCOPUS Journal of Chemical Physics (2023)
Formation of H2 on polycyclic aromatic hydrocarbons under conditions of the ISM: an ab initio molecular dynamics study Barrera, Nicolas F.; Fuentealba, Patricio; Gomez, Tatiana Article ISI SCOPUS Monthly Notices of the Royal Astronomical Society (2023)
In silico design of bio-marker detection fluorescent probes Botuha, Candice Article ISI SCOPUS Physical Chemistry Chemical Physics (2023)
Interactions and reactivity in crystalline intermediates of mechanochemical cyclorhodation reactions GÃ³mez; S.; GÃ³mez; S.; Rojas-Valencia; N.; HernÃ¡ndez; J.G.; Ardila-Fierro; K.J.; GÃ³mez; T.; CÃ¡rdenas; C.; Hadad; C.; Cappelli; C.; Restrepo; et al. Article ISI SCOPUS Physical Chemistry Chemical Physics (2023)
Spin-active single photon emitters in hexagonal boron nitride from carbon-based defects Chacon, Ignacio Article ISI SCOPUS Physica Scripta (2023)
Deexcitation rate coefficients of C3 by collision with H2 at low temperatures Article ISI SCOPUS Astronomy and Astrophysics (2022)
Molecular interactions from the density functional theory for chemical reactivity: Interaction chemical potential, hardness, and reactivity principles Miranda-Quintana R.A.; Heidar-Zadeh F.; Fias S.; Chapman A.E.A.; Liu, SB; Morell C.; Gomez T.; CÃ¡rdenas C.; Ayers P.W. Article ISI SCOPUS Frontiers in Chemistry (2022)
Molecular Interactions From the Density Functional Theory for Chemical Reactivity: The Interaction Energy Between Two-Reagents Chapman, Allison E.A.; Morell, Christophe Article ISI SCOPUS Frontiers in Chemistry (2022)
On the Prediction of Lattice Energy with the Fukui Potential: Some Supports on Hardness Maximization in Inorganic Solids Mejia, Erica Article ISI SCOPUS Journal of Physical Chemistry A (2022)
Cluster Assembled Silicon-Lithium Nanostructures: A Nanowire Confined Inside a Carbon Nanotube Orellana, Walter; Peccati, Francesca; Tiznado, William Article ISI SCOPUS Frontiers in Chemistry (2021)
Coulomb Explosion of Multi-charged Atomic Alkaline Metal Clusters Fuentealba, Pablo Article ISI SCOPUS Journal of Physical Chemistry A (2021)
Designing boron and metal complexes for fluoride recognition: a computational perspective Orenha, Renato P.; Peixoto, Letícia Bermudes; Piotrowski, Mauricio Jeomar; de Araujo Batista, Krys Elly; Morgon, Nelson Henrique; Parreira, Renato Luis Tame Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)
Electronegativity under Confinement Fuentealba, Patricio Article ISI SCOPUS Molecules (2021)
Kick-Fukui: A Fukui Function-Guided Method for Molecular Structure Prediction Tiznado, William Article ISI SCOPUS Journal of Chemical Information and Modeling (2021)
Links among the Fukui potential, the alchemical hardness and the local hardness of an atom in a molecule Fuentealba, Pablo Article ISI SCOPUS Journal of Computational Chemistry (2021)
On the nature of bonding in the photochemical addition of two ethylenes: C-C bond formation in the excited state? Chamorro, Eduardo Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)
Orbital energies and nuclear forces in DFT: Interpretation and validation Laplaza, Ruben; Chaquin, Patrick Article ISI SCOPUS Journal of Computational Chemistry (2021)
The change in the nature of bonding in the Li2 dimer under confinement Rodriguez-Bautista M. Article ISI INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2021)
The change in the nature of bonding in the Li<sub>2</sub> dimer under confinement Rodriguez-Bautista, Mariano; Fuentealba, Pablo Article ISI SCOPUS International Journal of Quantum Chemistry (2021)
Understanding Topological Insulators in Real Space Article ISI SCOPUS Molecules (2021)
Computing the Fukui Function in Solid-State Chemistry: Application to Alkaline Earth Oxides Bulk and Surfaces CerÃ³n M.L. Article SCOPUS Journal of Physical Chemistry A (2020)
Electronic structure of first and second row atoms under harmonic confinement Article ISI SCOPUS International Journal of Quantum Chemistry (2020)
Magnon valley Hall effect in CrI3-based van der Waals heterostructures Hidalgo-Sacoto R.; Troncoso, Roberto E. Article ISI SCOPUS Physical Review B (2020)
On the chemical potential of the hydrogen atom Article ISI SCOPUS Theoretical Chemistry Accounts (2020)
On the recognition of chloride, bromide and nitrate anions by anthracene-squaramide conjugated compounds: A computational perspective Orenha R.P.; Da Silva V.B.; Caramori G.F.; De Souza Schneider F.S.; Piotrowski M.J.; Contreras-Garcia J.; CÃ¡rdenas C.; Briese GonÃƒÂ§alves M.; Mendizabal F.; Parreira R.L.T. Article SCOPUS New Journal of Chemistry (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)
Hematene: a 2D magnetic material in van der Waals or non-van der Waals heterostructures Article ISI SCOPUS 2D MATERIALS (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)
Molecular simulations of carbon allotropes in processes with creation and destruction of chemical bonds Gonzalez R.I.; Bringa E.M. Article ISI SCOPUS CARBON (2019)
Reactivity of Carbon Molecular Clusters from a Huckel-Type Model Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (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)
Theoretical analysis of the adsorption of ammonia-borane and their dehydrogenation products on the (001) surface of TiC and ZrC Echeverri A.; Hadad, CZ Article ISI SCOPUS SURFACE SCIENCE (2019)
A theoretical study of the photodynamics of salicylidene-2-anthrylamine in acetonitrile solution Muriel, WA; Botero-Cadavid J.F.; RodrÃguez-CÃ³rdoba W. Article ISI SCOPUS (2018)
Local electrophilicity Robles A.; Franco-Perez, M; Gazquez, JL Article ISI SCOPUS JOURNAL OF MOLECULAR MODELING (2018)
Quantitative Electrophilicity Measures Martinez Gonzalez, M.; Liu; Shubin Article ISI SCOPUS ACTA PHYSICO-CHIMICA SINICA (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)
How predictive could alchemical derivatives be? Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
On understanding the chemical origin of band gaps Contreras-Garcia J. Article ISI SCOPUS JOURNAL OF MOLECULAR MODELING (2017)
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)
The HSAB principle from a finite-temperature grand-canonical perspective Miranda-Quintana R.A.; Kim T.D. Article ISI SCOPUS Theoretical Chemistry Accounts (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)
An explicit approach to conceptual density functional theory descriptors of arbitrary order Heidar-Zadeh, Farnaz; Richer, Michael; Fias, Stijn; Miranda-Quintana, Ramón Alain; Chan, Matthew; Franco-Pérez, Marco; González-Espinoza, Cristina E.; Kim, Taewon David; Lanssens, Caitlin; Patel, Anand H.G.; et al. Article ISI SCOPUS Chemical Physics Letters (2016)
Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series Heidar-Zadeh, Farnaz; Ayers, Paul W. Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (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)
A problematic issue for atoms in molecules: Impact of (quasi-)degenerate states on Quantum Theory Atoms in Molecules and Hirshfeld-I properties Bultinck P.; Jayatilaka D.; CÃ¡rdenas C. Article ISI SCOPUS COMPUTATIONAL AND THEORETICAL CHEMISTRY (2015)
Density functional theory of chemical reactivity Fuentealba, P.; CÃ¡rdenas C. Article SCOPUS Chemical Modelling (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)
In pursuit of negative Fukui functions: molecules with very small band gaps Echegaray, E; Rabi,S.; CÃ¡rdenas C.; Zadeh, FH; Rabi, N.; Lee S.; Anderson, JSM; Toro-Labbe A.; Ayers P.W. Article ISI SCOPUS JOURNAL OF MOLECULAR MODELING (2014)
Influence of environmental variation on symbiotic bacterial communities of two temperate sponges Cardenas, C. A.; Bell J.J.; Davy S.K.; Hoggard M.; Taylor M.W. Article SCOPUS FEMS MICROBIOLOGY ECOLOGY (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)
Communication: A case where the hard/soft acid/base principle holds regardless of acid/base strength. CÃ¡rdenas C. Article SCOPUS Journal of Chemical Physics (2013)
How reliable is the hard-soft acid-base principle? An assessment from numerical simulations of electron transfer energies CÃ¡rdenas C.; Ayers P.W. Article ISI SCOPUS Physical Chemistry Chemical Physics (2013)
In pursuit of negative Fukui functions: examples where the highest occupied molecular orbital fails to dominate the chemical reactivity Echegaray, E; CÃ¡rdenas C.; Rabi,S.; Rabi, N.; Lee S.; Zadeh, FH; Toro-Labbe A.; Anderson, JSM; Ayers P.W. Article ISI SCOPUS Journal of Molecular Modeling (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)
Symmetric Non local Weighted Density Approximations from the Exchange-Correlation Hole of the Uniform Electron Gas Cuevas-Saavedra R.; Chakraborty, D; Rabi,S.; CÃ¡rdenas C. Article ISI SCOPUS Journal of Chemical Theory and Computation (2012)
Understanding chemical binding using the Berlin function and the reaction force Chakraborty, D; CÃ¡rdenas C.; Echegaray, E; Toro-Labbe A. Article ISI SCOPUS Chemical Physics Letters (2012)
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)
Reactivity indicators for degenerate states in the density-functional theoretic chemical reactivity theory CÃ¡rdenas C.; Ayers P.W.; Cedillo, A Article ISI SCOPUS Journal of Chemical Physics (2011)
Should negative electron affinities be used for evaluating the chemical hardness? CÃ¡rdenas C.; Ayers, P; De Proft F.; Tozer D.J.; Geerlings P. Article ISI SCOPUS Physical Chemistry Chemical Physics (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)
The Fukui potential is a measure of the chemical hardness CÃ¡rdenas C. Article ISI SCOPUS Chemical Physics Letters (2011)
Relationships between the third-order reactivity indicators in chemical density-functional theory CÃ¡rdenas C.; Echegaray, E; Chakraborty, D; Anderson, JSM; Ayers P.W. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2009)
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)
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)
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)
Theoretical study on CDK2 inhibitors using a global softness obtained from the density of states Alzate-Morales, JH; Tiznado W.; Santos J.C.; CÃ¡rdenas C.; Contreras R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY B (2007)
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)
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)
Nature of bonding in the cyclization reactions of (2-ethynylphenyl)triazene and 2-ethynylstyrene CÃ¡rdenas C.; Chamorro E.; Notario R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2005)


The Fukui Function in Extended Systems: Theory and Applications Echeverry, Andrea; Gomez, Tatiana BookSection SCOPUS Conceptual Density Functional Theory: Towards a New Chemical Reactivity Theory: Volume 1 (2022)
Dynamics and electronic structure of atomic clusters Fuentealba, Patricio; Cardenas, Carlos BookSection (2018)
Negative Condensed-to-Atom Fukui Functions: A Signature of Oxidation-Induced Reduction of Functional Groups Echegaray, E; Cardenas, Carlos; Ayers, Paul; Parr, Robert; Anderson, James; Angilella, G; La Magna, A BookSection (2018)
Topological Analysis of the Fukui Function Cardenas, Carlos; Remi Chauvin; Christine Lepetit; Bernard Silvi; Esmail Alikhani BookSection (2016)
Isomorphic Local Hardness and Possible Local Version of Hard–Soft Acids–Bases Principle Cardenas, Carlos; Fuentealba, Patricio BookSection (2013)


Pauli principle and the confinement of electron pairs In A symmetric double well potential Fuentealba, Patricio; Novoa, Trinidad; Cardenas, Carlos ConferenceProceedingWhole (2018)


Evaluación y análisis de la función de localización electrónica para estados excitados sobre GPUs Rodriguez, Mariano Proyecto (2019)
Developing hybrid strategies to explore the potential energy surface of clusters and molecules Contreras, Julia Proyecto (2018)
Electronic structure and reactivity of atomic and molecular clusters Fuentealba, Patricio; Cardenas, Carlos Proyecto (2018)
How the chemical bond changes on excited state dynamics Cardenas, Carlos; Fuentealba, Patrcio Proyecto (2018)
Navigating the Chemical Space: A Perturbative Approach Cardenas, Carlos; Fuentealba, Patricio Proyecto (2014)
Exploring the dynamics and reactivity of atomic and molecular clusters Fuentealba, Patricio Proyecto (2013)
Centro Interdisciplinario de Líquidos Iónicos Contreras, Renato Proyecto (2011)
Describing the reactivity of complex molecular systems Proyecto (2009)
Centro para el Desarrollo de la Nanociencia y Nanotecnología Proyecto (2008)


A chemical theory of topological insulators MartÃn PendÃ¡s A.; Contreras-GarcÃa J. Review ISI SCOPUS CHEMICAL COMMUNICATIONS (2019)
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)

EDUARDO CHAMORRO

Académico Investigador

Universidad San Sebastián

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

Eugenio Vogel

Profesor Títular

Ciencias Físicas

UNIVERSIDAD DE LA FRONTERA

Temuco, Chile

Patricia Perez

Full Professor

Ciencias Químicas

UNIVERSIDAD ANDRÉS BELLO

Santiago, Chile

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

Jans Alzate

Associate Professor

Departamento de Bioinformática

UNIVERSIDAD DE TALCA

Talca, Chile

Jeronimo Maze

Associate Professor

Physics

FACULTAD DE FISICA, PONTIFICIA UNIVERSIDAD CATOLICA

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

Professor

Physics

UNIVERSIDAD DE CHILE, FAC. CIENCIAS, DEPTO FISICA

Santiago, Chile

Evgenia Spodine

Full Professor

Química Inorgánica y Analítica

UNIVERSIDAD DE CHILE

Santiago, Chile

Sebastian Allende

Assistant Professor

Physics

UNIVERSIDAD DE SANTIAGO DE CHILE (USACH)

Santiago, Chile

Edison Osorio

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

William Tiznado

Full professor

Chemical Sciences

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Rafael Gonzalez

Profesor Asociado

Universidad Mayor de Chile

Santiago, Chile

María Cerón

Profesor Asociado

Facultad de Ingeniería

Universidad Finis Terrae

Santiago, Chile

Esteban Vohringer-Martinez

Profesor Asociado

Físico-Química

FACULTAD DE CIENCIAS QUÍMICAS

Concepción, Chile

125

Carlos Cardenas

Professor

Physics

UNIVERSIDAD DE CHILE

Santiago, Chile

Ricardo Pino

Académico Investigador

Ciencias Químicas y Farmaceuticas

Universidad Arturo Prat

Iquique, Chile

WALTER RABANAL

Profesos Asistente

Depto. Química Analítica e Inorgánica

Universidad de Concepción

Concepción, Chile

Renato Contreras

professor

Quimica

Universidad de Chile

Santiago, Chile

Cesar Cardenas

Instituto Antártico Chileno

Punta Arenas, Chile

Luis Foa Torres

Profesor Asociado

DFI

UNIVERSIDAD DE CHILE

Santiago, Chile

Otoniel Denis

Profesor asistente

Departamento de Física

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

osvaldo yañez

Académico Investigador

Facultad de Ingeniería y Negocios

Universidad de Las Américas

Santiago, Chile

Mauricio Gómez

Investigador

Ingeniería

Universidad de Santiago de Chile

Santiago, Chile

Alejandro Varas

Investigador

Cedenna

Santiago, Chile

Alejandro Bernardin

Investigador postdoctoral

Fundación Ciencia y Vida

Santiago, Chile

Rodrigo Baez

Académico

Universidad Arturo Prat

Iquique, Chile

NELSON ARIAS

Investigador Fondecyt

Ciencias Químicas

Universidad Andrés Bello

Santiago, Chile

Edwin Tangarife

Asistente Adjunto

Universidad Mayor de Chile

Santiago, Chile

Esmeralda Lopez

Docente por horas

Departamento de Ingeniería Geoespacial y Ambiental

Universidad de Santiago de Chile

Santiago, Chile

Mario Duque

Académico

Ciencias Químicas

Universidad Andrés Bello

Santiago, Chile

Nicolás Barrera

Catalina Cortés

Posdoctorante

Química

Universidad de Chile

Santiago, Chile

Carlos Alberto Cardenas Valencia

Líneas de Investigación

Educación

Mechanical Engineer, Universidad Nacional de Colombia. Colombia, 2003

Molecular Physical Chemistry, Universidad Andres Bello. Chile, 2007

Experiencia Académica

SHARCNET Postodoctoral Fellow Full Time

Associate Professor Full Time

Visiting Professor Other

Technical advisor Other

Associate Researcher Part Time

Full professor Full Time

Formación de Capital Humano

Premios y Distinciones

Santander Scholarship Young Researchers

Best national score in the Higher Education Quality Examinations

Sharcnet Reaserch Fellowship

Article (99)

BookSection (5)

ConferenceProceedingWhole (1)

Proyecto (9)

Review (2)