Man

William Tiznado Vásquez

Full professor

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Líneas de Investigación


Theoretical Phisical Theoretical design of atomic clusters and exotic molecules. Development of theoretical methods to analyze the chemical bonding. Electronic structure analysis using ab initio or density functional theory (DFT) calculations.

Educación

  •  Chemisitry, Universidad Nacional Federico Villarreal. Peru, 1998
  •  Chemist, Universidad Nacional Federico Villarreal. Peru, 2000
  •  Chemistry, UNIVERSIDAD DE CHILE. Chile, 2006

Experiencia Académica

  •   Adjoint professor Full Time

    UNIVERSIDAD ANDRES BELLO

    Exact Sciences

    Santiago de Chile, Chile

    2009 - 2014

  •   Assistant professor Part Time

    Universidad Nacional Federico Villarreal

    Natural Sciences and Mathematics

    Lima, Peru

    2000 - 2002

  •   Full professor Full Time

    UNIVERSIDAD ANDRES BELLO

    Exact Sciences

    santiago, Chile

    2017 - A la fecha

  •   Associate professor Full Time

    UNIVERSIDAD ANDRES BELLO

    Exact Sciences

    Santiago, Chile

    2014 - 2017

Experiencia Profesional

  •   jung researcher Full Time

    Peruvian Nuclear center

    Lima, Peru

    1998 - 2002

Formación de Capital Humano


Undergraduate students

1) Alumno: Gustavo Andres Puga Morales
Título tesis: Diseño de nuevos compuestos inorgánicos aromáticos, por modelamiento químico cuántico y sus posibles aplicaciones en nuevas tecnologías.
Calificación: distinción máxima. Universidad Tecnológica Metropolitana Chile 2011
2) Alumno: Alejandro Vásquez Espinal
Título tesis: Efecto del Nitrógeno, Boro y Oxigeno en el almacenamiento de Hidrogeno en una Capa de Grafeno.
Calificación: distinción máxima. Universidad de Antioquia Colombia 2012
3) Alumno: Vivian Andrea Pedraza Velasco
Título tesis: Estudio teórico de la regioselectividad en reacciones 1,3 dipolar
Calificación: distinción máxima. Universidad Metropolitana de Ciencias de la Educación Chile 2013
4) Alumno: Isabel Fuenzalida Valdivia
Título tesis: Estudio teórico de la evolución estructural y energética de los sistemas Si5-n(AlH)n 2-.
Calificación: distinción máxima. Universidad de Talca Chile 2014
5) Alumno: María Joaquína Beltran Leiva
Título tesis: Estudio de la Reactividad Química en Cicloadiciones 1,3 dipolar mediante herramientas de la Mecánica Cuántica
Calificación: distinción máxima. Universidad de Talca Chile 2014
6) Alumno: Diego Esteban Inostroza Mendoza
Título tesis: Propuesta de un método genético hibrido para explorar superficies de energía potencial en clústeres atómicos.
Calificación: Distinción máxima Universidad de Talca Chile 2017
7) Alumno: Isidora Alejandra Chandia Acosta
Título tesis: Análisis y optimización de código del programa AUTOMATON, utilizando para la búsqueda de estructuras mínimas globales de clústeres atómicos y moléculas en fase gaseosa.
Calificación: Distinción máxima. Universidad Finis Terrae Chile 2020
8) Alumno: Mirko Eduardo Maturana Quispe
Título tesis: Implementacio?n de teori?a de Auto?matas Celulares en la generacio?n de poblacio?n inicial del programa AUTOMATON 2.0, utilizado para la bu?squeda de estructuras mi?nimas globales de clu?steres ato?micos.
Calificación: Distinción máxima. Universidad Finis Terrae Chile 2021
9) Alumno: Yuritza Darling Aros Figueroa
Título tesis: Implementacio?n de un AUTOMATA celular para identificar estructuras de mínima energía.
Calificación: Por defender Universidad de Las Américas Chile 2023

Graduate Students

1) Alumno: Edison Osorio López
Tesis: Diseño y Estudio Teórico de clústeres atómicos
Calificación: Summa cum laude (2012)

2) Alumno: Juan Torres Vega
Tesis: Desarrollo e implementación de nuevas estrategias teóricas enfocadas al estudio de nanoestructuras, en el contexto de las teorías de la mecánica cuántica y matrices densidad reducida.
Calificación: Summa cum laude (2015)

3) Alumno: Karel Mena Ulecia
Tesis: Modelación Teórica de la afinidad entre la enzima proteína quinasa-A (PKA) y sus sustratos peptídicos mediante métodos de la dinámica molecular y mecánica cuántica.
Calificación: Summa cum laude (2015)

4) Alumno: Ricardo Pino Rios
Tesis: Análisis de la reactividad química mediante criterios de análisis topológico de la densidad electrónica y funciones escalares derivadas.
Calificación: Summa cum laude (2016)

5) Alumno: Alejandro Vásquez Espinal
Tesis: Análisis de la capacidad predictiva del concepto Zintl.Klemm en clústeres del grupo 13 y 14 de l atabla periódica. Diseño y aplicaciones.
Calificación: Summa cum laude (2016)

6) Alumno: Osvaldo Yañez Osses
Tesis: Implementación de un algoritmo genético híbrido para la búsqueda conformacional de clusters atómicos.
Calificación: Summa cum laude (2018)

7) Alumno: Rodrigo Baez Grez
Tesis: preparando examen de calificación y de proyecto.
Calificación: Magna cum laude (2018)

8) Alumno: Víctor García Villegas
Tesis: preparando examen de calificación y de proyecto.
Calificación: Suma cum laude (2019).

9) Alumno: David Arias Olivares
Tesis: Relation Among Localization, Deslocalization and Physicochemical Properties
Calificación: Summa cum laude (2020).

10) Alumno: Diego Inostroza Mendoza
Tesis: Desarrollo de modelos híbridos para la exploración de la superficie de energía potencial de Clusters y Moléculas
Calificación: Suma cum laude (2023)

12) Alumno: Jose Solar
Tesis: Estudio teórico de materiales tipo metaloborofeno y sus aplicaciones en catálisis heterogénea y almacenamiento de hidrógeno.
Calificación: Summa cum laude (2023)

13) Alumno: Luis Leiva
Tesis:AROMATICIDAD CAMALEÓNICA EN PORFIRINAS: EXPLORANDO NUEVO MATERIALES CON PROPIEDADES ÓPTICAS AJUSTABLES.
Calificación: Suma cum laude (2023)

14) Alumno: Julio Barrios
Tesis: Desarrollo de una Metodología Híbrida Considerando Descriptores de Reactividad y Enlace Químico para Explorar la Superficie de Energía Potencial de Clústeres Atómicos y Moleculares
Candidato a Doctor (2022).

15) Alumno: Dumer Stiven Sacanamboy Papamija
Tesis: Estudio Sistemático de la Corriente de Anillo como Criterio General de Aromaticidad en Clústeres Atómicos
Candidato a Doctor (2023).


Difusión y Transferencia


1) XI Simposio Latinoamericano y IX Congreso Iberoamericano de Polimeros – Lima, Perú Chemical Reactivity and Computational Study of Alginic Acid and its derivatives, A. Bruno C., G. Parraguez V., L. Baldeon A., J. Diaz V., and William Tiznado V. 2008
2) XI Simposio Latinoamericano y IX Congreso Iberoamericano de Polimeros – Lima, Perú Electronic Structure Study of Metallocene Catalyst Systems in Homopolymerization of Ethylene, William Tiznado V. and Soledad Gutierrez-Oliva 2008
3) XXXV Congress of Theoretical Chemists of Latin Expression – San Andrés, Colombia, Estrellas moleculares de carbono y silicio, William Tiznado V., Alejandro Toro-Labbe, Jesus M. Ugalde, Gabriel Merino, Nancy Perez Peralta, y Rafael islas 2009
4) XXXV Congress of Theoretical Chemists of Latin Expression – San Andrés, Colombia, Estudio teórico de l aestructura y propiedades electrónicas de los clústeres Si3On y Si6On (n=1-6). Patrones de fragmentación y crecimiento, William Tiznado V., Marta B. Ferraro, Patricio Fuentealba, Ofelia B. Oña y Maria C. Caputo. 2009
5) XXXV Congress of Theoretical Chemists of Latin Expression – San Andrés, Colombia, Exploración del espacio conformacional de alanos con algoritmos genéticos, Diana Yepes William Tiznado V., Gabriel Merino. 2009
6) XXVI CONGRESO PERUANO DE QUIMICA - Arequipa, Perú : Prediction of global minimum of atomic clusters using genetic algorithms, J.J. Torres-Vega, A. Vásquez. W. Tiznado 2012
7) XXVI CONGRESO PERUANO DE QUÍMICA-Arequipa, Perú, 2012. Evaluation of theoretical Nucleophilicty indexes. Karel Mena-Ulecia and William Tiznado. 2012
8) 8th Workshop in Computational Chemistry and Molecular Spectroscopy – Punta de Tralca, Chile: Evaluation of stability and aromaticity in cyclic azines, Ricardo Pino Rios, William Tiznado V. 2012
9) 8th Workshop of computational chemistry and molecular spectroscopy. Punta de Tralca - Chile. Ab initio prediction of stable configuration of B5H5Li6 and B5H5Li7+ clusters, JJ.Torres-Vega, A.Vásquez, W.Tiznado. 2012
10) 8th Workshop of Computational Chemistry and Molecular Spectroscopy- Punta de Tralca, Chile, 2012. Evaluation of theoretical Nucleophilicty indexes. Karel Mena- Ulecia and William Tiznado 2012
11) 8th WORKSHOP in Computational Chemistry and Molecular Spectroscopy, 2012, Punta de Tralca, Chile: Dissociation of hydrogen in a metal-free catalyst supported on graphene, Alejandro Vásquez, Fanor Mondragón, William Tiznado 2012
12) XXVI Congreso Peruano De Quìmica Mariano Eduardo De Rivero Y Ustariz - Arequipa, Perú: Cicloazinas: Evaluación de Aromaticidad y Estabilidad, Ricardo Pino Rios, William Tiznado V. 2012
13) ICMS 2013. 2nd International Conference of Materials Science - Valdivia, Chile: Free of in-plane component NICS (FiPC-NICS) description of aromaticity in systems which presents conflicting aromatic assignation, JJ.Torres-Vega, A. Vasquez, W. Tiznado 2013
14) ICMS 2013. 2nd International Conference of Materials Science - Valdivia, Chile: Orbital Localization Criterion as Complementary Tool in the bonding analysis by means of electron localization function: study of the Sin(BH)5-n figuir2- (n=0-5) clusters. O.Oña, D.R.Alcoba, A.Torre, L.Lain, JJ.Torres-Vega, W.Tiznado 2013
15) ICMS 2013. 2nd International Conference on Materials Science-Valdivia, Chile. Theoretical modeling of the affinity between the protein kinase A (PKA) and its peptide substrates by Molecular Dynamics and MM-GBSA. Karel Mena-Ulecia , Julio Caballero , Ariela Vergara , Horacio Poblete , William Tiznado. 2013
16) ICMS 2013. 2nd International Conference on Material Science, October, 2013, Valdivia, Chile: Theoretical predictions of boron analogues of cyclopropenyl cation and cyclopropane, Alejandro Vásquez, William Tiznado 2013
17) ICMS 2013. 2nd International Conference on Material Science – Valdivia, Chile: Assembling Small Silicon Clusters Following the Fukui Potential Predictions – Valdivia, Chile, Ricardo Pino Rios, William Tiznado V. 2013
18) V Workshop on Novel Methods for Electronic Structure Calculations, 2013, Montevideo, Uruguay: Designing star-like clusters using main-group elements, Alejandro Vásquez, Juan J. Torres, William Tiznado 2013
19) V ENQTC - II-ECTCCM - Guatape, Colombia. ¿Es Al2Cl6 aromático? Cuando los NICS nos pueden llevar a una mala interpretación de la aromáticidad. JJ. Torres- Vega, R.Islas, E.Osorio, J.G.Harrison, W.Tiznado, G.Merino 2014
20) V ENQTC - II-ECTCCM - Guatape, Colombia. Almacenamiento de hidrógeno en clusters de EmLin (E=B,C,Si). Alejandro Vásquez, William Tiznado 2014
21) WATOC 2014. 10th Triennial Congress of the World Association of Theoretical and Computational Chemists, Santiago, Chile. Minimizing the risk of reporting false aromaticity and antiaromaticity in inorganic heterocycles following magnetic criteria. Juan J. Torres-Vega, Alejandro Vásquez-Espinal, Julio Caballero, María L. Valenzuela, Luis Alvarez-Thon, Edison Osorio, William Tiznado 2014
22) WATOC 2014. 10th Triennial Congress of the World Association of Theoretical and Computational Chemists, Santiago, Chile. Extending Isomerization Energy Decomposition Analysis to the study of chemical reactions. Case of study: the origin of the Alder-Stein endo rule. Ricardo Pino-Rios, William Tiznado 2014
23) 31 Congreso Latinoamericano de Química CLAQ-2014, Lima, Perú. Evaluación de la disociación de H2 en el diseño de sistemas de acumuladores de hidrógeno. Alejandro Vásquez-Espinal, Ricardo Pino-Rios, Patricio Fuentealba, William Tiznado 2014
24) 31 Congreso Latinoamericano de Química CLAQ-2014, Lima, Perú. Estudio de la Aromaticidad en estados de Transición de Reacciones Pericíclicas mediante criterios de deslocalización electrónica y propiedades magnéticas. Ricardo Pino-Rios, J.J. Torres Vega, Alejandro Vásquez-Espinal. William Tiznado 2014
25) 31 Congreso Latinoamericano de Química CLAQ-2014, Lima, Perú. Aromaticidad en sistemas inorgánicos, ¡Cuando la definición no es suficiente!. J.J. Torres Vega, William Tiznado y Ofelia Oña. 2014
26) 9th Workshop of Computational Chemistry and Molecular Spectroscopy- Punta de Tralca, Chile, 2014. The epic finding of the global minimum: Genetic Algorithms. J. J. Torres-Vega, M.J. Beltran, A. Vásquez-Espinal y William Tiznado.
27) XIII Reunión Mexicana de Fisicoquímica Teórica 2014, Morelia, Michoacán, México. Diseño de clusters en forma de estrella usando elementos del grupo principal. Alejandro Vásquez-Espinal, Ricardo Pino-Rios, Juan José Torres-Vega, Rafael Islas, William Tiznado 2014
28) QUITEL 2014. Congreso de Químicos Teóricos de Expresión Latina, San Cristóbal, Ecuador, 2014.
Deciphering the effect of fluorination of benzene in the chemical bond and its impact on the induced current densities and NICS. Juan J. Torres-Vega, Alejandro Vásquez-Espinal, Lina Ruiz, María A. Fernández-Herrera, Luis Alvarez-Thon, Gabriel Merino, William Tiznado 2014
29) 3rd International Conference on Material Science, Valdivia, Chile, 2015, “Encapsulpating hazardous waste material in host-guest complexes M@C60(M=As, Hg and Pb) endohedral metallofullerenes and CB[9] cucurbituril: First-principles predictions”, Osvaldo Yáñez Osses, Ricardo Pino Ríos & William Tiznado Vásquez. 2015
30) 3rd International Conference on Material Science, Valdivia, Chile, 2015, “Fukui Function and Genetic Algorithm: a strategy for search of global minimun in médium size silicon cluster (Sin), Ricardo Pino Ríos, Alejandro Vásquez Espinal, Osvaldo Yáñez Osses, Juan Torres Vega & William Tiznado Vásquez. 2015
31) 3rd International Conference on Material Science, Valdivia, Chile, 2015, "Extending Orbital localization Procedure based on the topological analysis of the electron localization function”, William Tiznado, Diego Alcoba, Ofelia Oña, Luis Lain, Alicia Torre y Juan José Torres-Vega. 2015
32) 3rd International Conference on Material Science, Valdivia, Chile, 2015, “Global Minimun Search using GA's: testing strategies to generate a suggested population”, M. J. Beltran, J. J. Torres-Vega, A. Vásquez-Espinal y W. Tiznado.
33) XXIII Simposio Peruano de Física. “Búsqueda de Mínimos Globales usando un Algoritmo Genético Modificado con población sugerida”, Juan José Torres-Vega y William Tiznado. 2015
34) XIV Reunión Mexicana de Fisicoquímica Teórica, Jalisco, Mexico, 2015,“Análisis Topológico de diferentes aproximaciones de la función de Fukui nucleofilica en una serie de bencenos monosustituidos”, Ricardo Pino Ríos, Osvaldo Yáñez Osses, Alejandro Vásquez Espinal & William Tiznado Vásquez. 2015
35) Current Topics in Theoretical Chemistry 2016, Trujillo, Perú. STAR-SHAPED CLUSTERS AS BUILDING BLOCKS IN THE DESIGN OF NANOWIRES. Alejandro Vásquez-Espinal, Osvaldo Yañez, Juan José Torres-Vega, Walter Orellana, William Tiznado 2016
36) Current Topics in Theoretical Chemistry 2016, Trujillo, Perú. Theoretical Study of Thiol-Michael Addition Reactions: Substituent Effects on Reactivity of Aurones with Thiols of Biological Interest. Karen Palacio, Ricardo Pino-Rios, Juan F. Espinal, William Tiznado. 2016
37) Current Topics in Theoretical Chemistry 2016, Trujillo, Perú.” A Simple Hybrid Algorithm for Exploring the Potential Energy Surface of Clusters and Molecules”, Osvaldo Yáñez Osses, Alejandro Vásquez Espinal & William Tiznado Vásquez. 2016
38) Current Topics in Theoretical Chemistry 2016, Trujillo, Perú. Evaluating the predictive capability of the stability of hydrogen bonds: Topological vsMagnetic approaches. Ricardo Pino-Rios, Osvaldo Yañez Osses, William Tiznado, 2016
39) 10th Workshop in Computational Chemistry and Molecular Spectroscopy – Punta de Tralca, Chile: “A novel algorithm for assembling small clusters using the Fukui function for the search of global minimum in medium size clusters”, Osvaldo Yáñez Osses, Diego Inostroza, Ricardo Pino Rios & William Tiznado Vásquez. 2016
40) 2nd Bioinformatics Meeting, Talca, Chile, 2016,“Software for the topological analysis of the Fukui function (TAFF)”, Diego Inostroza Mendoza, Osvaldo Yáñez Osses, Ricardo Pino Rios, and. William Tiznado 2016
41) Current Topics in Theoretical Chemistry 2016, Trujillo, Perú. Theoretical study of inhibitor reactivity of tau protein. Víctor Garcia, Ricardo Pino-Rios, William Tiznado 2016
42) 10thWorkshop on Computational Chemistry and Molecular Spectroscopy – Punta de Tralca, Chile: “Structural, conformation and electronic properties of polyphenolic aggregation inhibitors on tau protein”, Víctor Garcia, Ricardo Pino-Rios, William Tiznado 2016
43) 4th International Conference on Materials Science (ICMS), Valdivia, Chile, 2017. “Exploring the Potential Energy Surface of Small Lead Clusters using the Gradient Embedded Genetic Algorithm and an Adequate Treatment of Relativistic Effects”. Walter A. Rabanal-León, William Tiznado, Edison Osorio, Franklin Ferraro. (Poster presentation) 2017
44) 2nd European Symposium on Chemical Bond, Oviedo, Spain, 2018. “A random assembler based on the evaluation of the Fukui’s coulombic integral: Assessment on structural prediction on atomic and molecular clusters”. Walter A. Rabanal-León, Osvaldo Yañez, Rodrigo Báez Grez, Diego Inostroza, Ricardo Pino-Rios, Jorge Garza Olguín, William Tiznado.(Poster presentation) 2018
45) WORKSHOP GIMIC (GRUPOS DE INVESTIGACIÓN EN MATERIA CONDENSADA) Nano-química: Fundamentos y aplicaciones. Red-Telemática – UNMSM – Lima, Perú. Herramientas computacionales inspiradas en conceptos químicos para la exploración de la superficie de energía potencial. W. Tiznado (conferencia plenaria) 2019
46) LatinXChe,: Congreso de química en Twiter, Searching for planar hexacoordinate carbon in a serie of carbon hexaboroide dianion isoelectronic analogues, Leyva-Para LM, Diego Ramon L, Inostroza D, Yañez O, Vásquez-Espinal A, y Tiznado W. (poster) 2020
47) III Congreso Latinoamericano de Física, Química y Biología computacional – Arequipa, Perú, Estudio de la estabilidad y reactividad de pequeños clústeres de carbono Cn (n=3-10), Diego Luz, Leyva-Parra L, Yañez O, Pumachagua R, y Tiznado W. (Poster) 2020
48) 12° Workshop QC&EM – Concón, Chile, Verification of Transmission Selection Rules in Diverse Polycyclic Quinone Conjugates, Luis Leyva-Parra, Mercedes Alonso and William Tiznado. (poster) 2023
49) 12° Workshop QC&EM – Concón, Chile, Aromaticity in the series ????(????????????)????????+ (E = B, C, and N, n=5 or 6, x=1 or 2): A different view of the Magnetic Ring Current, Viviana Roman-Ventura, Andrea Ovalle-Bolea, Luz Diego, Luis Leyva-Parra and WilliamTiznado. (Poster) 2023
50) 12° Workshop QC&EM – Concón, Chile, Searching for Global Minima Structures containing Planar Tetracoordinate Group 13-15 Elements, Dumer Sacanamboy, Kevin Parco, Pamela Gamero, Luis Leyva, Diego Inostrosa and William Tiznado. (Poster) 2023
51) LatinXChem: Congreso de química en Twiter, Aromaticity in ????(????????????)????????+ (E = B, C, and N, n=5 or 6, x=1 or 2): A New Way to see the Magnetic Ring Currents, Roman Ventura V., Leyva-Para L. and Tiznado W. (Poster) 2023
52) LatinXChem: Congreso de química en Twiter, Revealing the Density Currents Pathways of Nonpolar Chameleonic Aromatics, Leyva-Para L. y Tiznado W. (Poster) 2023


Premios y Distinciones

  •   William Tiznado Vásquez

    FONDECYT

    Chile, 2009

    Awarded with the first rank in the year 2009 initiation projects competition.

  •   William Tiznado Vásquez

    The German Academic Exchange Service (DAAD)

    Chile, 2002

    Full scholarship to PhD studies in chemistry in Universidad de Chile

  •   Beca Integral DAAD

    EMBAJADA DE ALEMANIA EN CHILE

    Alemania, 2005

    Beca para realizar estadía de Investigación en la Universidad de Colonia Alemania, 2005.


 

Article (105)

Antioxidant activity and enzymatic of lichen substances: A study based on cyclic voltammetry and theoretical
Planar Elongated B-12 Structure in M3B12 Clusters (M = Cu-Au)
Searching for Systems with Planar Hexacoordinate Carbons
Si-5-pentagonal rings and Y-shaped Si-4 building blocks in Li32Si18 system: similarities with the crystalline Zintl phase Li12Si7
Si6C18: A bispentalene derivative with two planar tetracoordinate carbons
Bowl-shaped CuB12- Cluster. A viable Global Minimum with Twofold Aromaticity
Persistent Planar Tetracoordinate Carbon in Global Minima Structures of Silicon-Carbon Clusters
Analysis of Local and Global Aromaticity in Si3C5 and Si4C8 Clusters. Aromatic Species Containing Planar Tetracoordinate Carbon
Cluster Assembled Silicon-Lithium Nanostructures: A Nanowire Confined Inside a Carbon Nanotube
In Silico Study of Coumarins and Quinolines Derivatives as Potent Inhibitors of SARS-CoV-2 Main Protease
Kick-Fukui: A Fukui Function-Guided Method for Molecular Structure Prediction
Li8Si8, Li10Si9, and Li12Si10: Assemblies of Lithium-Silicon Aromatic Units
On the NICS limitations to predict local and global current pathways in polycyclic systems
Planar Hexacoordinate Carbons: Half Covalent, Half Ionic
Planar Hypercoordinate Carbons in Alkali Metal Decorated CE32- and CE22- Dianions
Structure-antioxidant activity relationships in boldine and glaucine: a DFT study
Theobroma cacao L. compounds: Theoretical study and molecular modeling as inhibitors of main SARS-CoV-2 protease
Aromatic ouroboroi: heterocycles involving a σ-donor–acceptor bond and 4 n+ 2 π-electrons
Biosystem Analysis of the Hypoxia Inducible Domain Family Member 2A: Implications in Cancer Biology
Embedding a Planar Hypercoordinate Carbon Atom into a [4n+2] ?-System
Evaluation of restricted probabilistic cellular automata on the exploration of the potential energy surface of Be6B11-
Local and macrocyclic (anti)aromaticity of porphyrinoids revealed by the topology of the induced magnetic field
Relativistic effects on the aromaticity of E3M3H3 (E = C-Pb; M = N-Bi) benzene analogues
Searching for double sigma- and pi-aromaticity in borazine derivatives
(Li6Si5)2–5: The Smallest Cluster‐Assembled Materials Based on Aromatic Si56− Rings
Alterations of Mitochondrial Biology in the Oral Mucosa of Chilean Children with Autism Spectrum Disorder (ASD)
Aromaticity in heterocyclic analogues of benzene: Dissected NICS and current density analysis
AUTOMATON: a program that combines a probabilistic cellular automata and a genetic algorithm for global minimum search of clusters and molecules
Carbon rings decorated with group 14 elements: new aromatic clusters containing planar tetracoordinate carbon
Exploring the Potential Energy Surface of Trimetallic Deltahedral Zintl Ions: Lowest-Energy [Sn6Ge2Bi]3– and [(Sn6Ge2Bi)2]4– Structures
Formation of small clusters of NaCl dihydrate in the gas phase
Interpreting Aromaticity and Antiaromaticity through Bifurcation Analysis of the Induced Magnetic Field
Orbital-Weighted Dual Descriptor for the Study of Local Reactivity of Systems with (Quasi-) Degenerate States
Reply to the 'Comment on "Exploiting electronic strategies to stabilize a planar tetracoordinate carbon in cyclic aromatic hydrocarbons"' by V. S. Thimmakondu, Chem. Commun., 2019, DOI:; 10.1039/c9cc04639a
Theoretical Study of the Antioxidant Activity of Quercetin Oxidation Products
An orbital localization criterion based on the topological analysis of the electron localization function at correlated level
Aromaticity of [M-3(mu-X)(3)X-6](0/2-) (M = Re and Tc, X = Cl, Br, I) Clusters Confirmed by Ring Current Analysis and Induced Magnetic Field
E5M7+ (E= C–Pb, M= Li–Cs): A Source of Viable Star‐Shaped Clusters
Exploring the potential energy surface of small lead clusters using the gradient embedded genetic algorithm and an adequate treatment of relativistic effects
Relativistic effects on the ring current strengths of the substituted borazine: B3N3H6 (X=H, F, Cl, Br, I, At)
Study of the affinity between the protein kinase PKA and homoarginine-containing peptides derived from kemptide: Free energy perturbation (FEP) calculations
Which NICS method is most consistent with ring current analysis? Assessment in simple monocycles
A Fukui function-guided genetic algorithm. Assessment on structural prediction of Si-n (n=12-20) clusters
Exploiting electronic strategies to stabilize a planar tetracoordinate carbon in cyclic aromatic hydrocarbons
Proposal of a Simple and Effective Local Reactivity Descriptor through a Topological Analysis of an Orbital-Weighted Fukui Function
Testing the effectiveness of the isoelectronic substitution principle through the transformation of aromatic osmathiophene derivatives into their inorganic analogues
Theoretical design of stable hydride clusters: isoelectronic transformation in the E(n)Al(4-n)H(7+n)(-)series
Theoretical design of stable hydride clusters: isoelectronic transformation in the EnAl4-nH7+n- series (vol 7, pg 16069, 2017)
10-?-Electron arenes: À la carte: Structure and bonding of the [E-(CnHn)-E]n-6 (E = Ca, Sr, Ba; N = 6-8) complexes
Boron avoids cycloalkane-like structures in the LinBnH2n series
Insights into the hydrogen dissociation mechanism on lithium edge-decorated carbon rings and graphene nanoribbon
Insights on the structural and electronic properties of ScC n + , YC n + , LaC n + (n = 3–6) systems
Isoelectronic substitution from Si-5(2-) to Al5H52-: Exploration of the series Si5-n(AlH)(n)(2-) (n=0-5)
Chemical bonding analysis in boron clusters by means of localized orbitals according to the electron localization function topology
Li7(BH)5+: a new thermodynamically favored star-shaped molecule
New Insights into Re3 (μ-Cl) 3Cl6 Aromaticity. Evidence of σ-and π-Diatropicity
Optimal graph-based and Simplified Molecular Input Line Entry System-based descriptors for quantitative structure-activity relationship analysis of arylalkylaminoalcohols, arylalkenylamines, and arylalkylamines as sigma(1) receptor ligands
Quercetin Affects Erythropoiesis and Heart Mitochondrial Function in Mice
Revisiting Aromaticity and Chemical Bonding of Fluorinated Benzene Derivatives
Study of the Differential Activity of Thrombin Inhibitors Using Docking, QSAR, Molecular Dynamics, and MM-GBSA
(E)-2-(Benzo[d]thiazol-2-yl)-3-heteroarylacrylonitriles as efficient Michael acceptors for cysteine: Real application in biological imaging
Insights into the Interactions between Maleimide Derivates and GSK3 beta Combining Molecular Docking and QSAR
Kinetic study on the aromatic nucleophilic substitution reaction of 3,6-dichloro-1,2,4, 5-tetrazine by biothiols
Minimizing the Risk of Reporting False Aromaticity and Antiaromaticity in Inorganic Heterocycles Following Magnetic Criteria
Minimizing the Risk of Reporting False Aromaticity and Antiaromaticity in Inorganic Heterocycles Following Magnetic Criteria
Minimizing the Risk of Reporting False Aromaticity and Antiaromaticity in Inorganic Heterocycles Following Magnetic Criteria
Significant Nonlinear-Optical Switching Capacity in Atomic Clusters Built from Silicon and Lithium: A Combined Ab Initio and Density Functional Study
Stop rotating! One substitution halts the B-19(-) motor
Study of the Affinity between the Protein Kinase PKA and Peptide Substrates Derived from Kemptide Using Molecular Dynamics Simulations and MM/GBSA
Substituent effects on reactivity of 3-cinnamoylcoumarins with thiols of biological interest
An orbital localization criterion based on the topological analysis of the electron localization function
Is Al2Cl6 Aromatic? Cautions in Superficial NICS Interpretation
Isomerization Energy Decomposition Analysis for Highly Ionic Systems: Case Study of Starlike E5Li7+ Clusters
Orbital Localization Criterion as a Complementary Tool in the Bonding Analysis by Means of Electron Localization Function: Study of the Si-n(BH)(5-n)(2-) (n=0-5) Clusters
Theoretical design of stable small aluminium-magnesium binary clusters
Topological analysis of tetraphosphorus oxides (P4O6+n (n=0-4))
Why is quercetin a better antioxidant than taxifolin? Theoretical study of mechanisms involving activated forms
1,3-Dipolar cycloaddition of nitrile imines with alpha,beta-unsaturated lactones, thiolactones and lactams: synthesis of ring-fused pyrazoles
Analysis of Why Boron Avoids sp2 Hybridization and Classical Structures in the BnHn+2 Series
Docking and quantitative structure-activity relationship studies for imidazo[1,2-a]pyrazines as inhibitors of checkpoint kinase-1
Fukui and dual-descriptor matrices in the basis-set representation: A spin-free approach
Ground and excited state similarity studies by means of Fukui and dual-descriptor matrices
Models of the pharmacophoric pattern and affinity trend of methyl 2-(aminomethyl)-1-phenylcyclopropane-1-carboxylate derivatives as sigma(1) ligands
Structure and stability of the Si4Lin (n=1-7) binary clusters
Theoretical study of the Si5-n(BH)(n)(2-) and Na(Si5-n(BH)(n))(-) (n=0-5) systems
1,3-Dipolar Cycloaddition of Nitrile Imines with Cyclic alpha-beta-Unsaturated Ketones: A Regiochemical Route to Ring-Fused Pyrazoles
An analysis of the isomerization energies of 1,2-/1,3-diazacyclobutadiene, pyrazole/imidazole, and pyridazine/pyrimidine with the turn-upside-down approach
Assembling Small Silicon Clusters Using Criteria of Maximum Matching of the Fukui Functions
Binding Studies and Quantitative Structure-Activity Relationship of 3-Amino-1H-Indazoles as Inhibitors of GSK3 beta
Stabilizing carbon-lithium stars
The Fukui Potential and the Capacity of Charge and the Global Hardness of Atoms
EXPERIMENTAL AND THEORETICAL STUDY OF SHYNTESIS OF N-ALKYL-NITROIMIDAZOLES.
Scalar and Spin-Orbit Relativistic Corrections to the NICS and the Induced Magnetic Field: The case of the E-12(2-) Spherenes (E = Ge, Sn, Pb)
Topological Analysis of the Fukui Function
Designing 3-D Molecular Stars
Theoretical Study of the Structure and Electronic Properties of Si3On- and Si6On- (n=1-6) Clusters. Fragmentation and Formation Patterns
Theoretical study on CDK2 inhibitors using a global softness obtained from the density of states
Definition of a nucleophilicity scale
Comparison among four different ways to condense the Fukui function
Condensation of the highest occupied molecular orbital within the electron localization function domains
Pseudopotential and electron propagator methods for the calculation of the photoelectron spectra of anionic silicon clusters: Predictions on Si-10(-)
Theoretical study of the adsorption of H on Si-n clusters, (n=3-10)
Theoretical study of the interaction of molecular oxygen with copper clusters
A proposal for a new local hardness as selectivity index
Sigma-pi separation of the electron localization function and aromaticity

Proyecto (11)

Structure prediction and chemical bonding analysis to drive the discovery of novel compounds of main-group elements
DESIGNING AROMATIC CLUSTERS OF THE MAIN GROUP ELEMENTS. EVALUATION OF THEIR STABILITY AND THEIR ASSEMBLY TO FORM SMALL AND MEDIUM SIZED OLIGOMERS.
Developping hybrid strategies. Explore the potential energy surface of clusters and molecules
RELATIVISTIC INSIGHTS ON HEAVY-ELEMENT CONTAINING CLUSTERS=> STRUCTURAL SEARCH, ELECTRONIC STRUCTURE, OPTICAL AND MAGNETIC PROPERTIES
ANALYSIS OF CHEMICAL BONDING IN CLUSTERS AND MOLECULES
Diseño teóricos de nuevos materiales con potenciales aplicaciones de almacenamiento y generación de energía
ESTUDIO TEORICO DE LA TRANSMUTACION DE MOLECULAS DE TIPO ESTRELLA
Optimización y desarrollo de algoritmos de búsqueda de conformaciones estructurales de mínima energía en clústeres atómicos y moleculares
DESIGN OF ATOMIC CLUSTERS AS BUILDING UNITS FOR THE CONSTRUCTION OF NANOSTRUCTURES WITH POTENTIAL TECHNOLOGICAL APPLICATIONS
Nano estructuras con potencial aplicación en sistemas de almacenamiento de hidrógeno
MOLECULAR MODELING OF METALLOCENE CATALYSTS SUPPORTED IN MODIFIED SILICA
113
William Tiznado

Full professor

Chemical Sciences

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

22
osvaldo yañez

Académico Investigador

Facultad de Ingeniería y Negocios

Universidad de Las Américas

Santiago, Chile

16
Ricardo Pino

Académico Investigador

Ciencias Químicas y Farmaceuticas

Universidad Arturo Prat

Iquique, Chile

14
patricio fuentealba

Profesor Titular

Física

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

Santiago, Chile

10
Julio Caballero

Full Professor

Departamento de Bioinformática

Universidad de Talca

Talca, Chile

9
Edison Osorio

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

8
Lina Ruiz

Academico Docente Investigador

Instituto de Ciencias Biomédicas

Universidad Autónoma de Chile

Santiago, Chile

7
Renato Contreras

professor

Quimica

Universidad de Chile

Santiago, Chile

6
WALTER RABANAL

Profesos Asistente

Depto. Química Analítica e Inorgánica

Universidad de Concepción

Concepción, Chile

5
Rafael Islas

Profesor

Departamento de Ciencias Química

Universidad Andrés Bello

Santiago, Chile

5
Carlos Areche

ASSOCIATE PROFESSOR

CHEMISTRY

UNIVERSIDAD DE CHILE

Santiago, Chile

5
Carlos Cardenas

Associate professor

Physics

UNIVERSIDAD DE CHILE

Santiago, Chile

4
Walter Orellana

Associate Professor

Physical Science

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

3
Celia Salazar

Postdoctorado

Universidad Autónoma de Chile

Talca, Chile

3
Alejandro Vásquez

Profesor Asistente

Química y Farmacia

Universidad Arturo Prat

Iquique, Chile

3
Juan Santos

UNIVERSIDAD ANDRES BELLO

santiago, Chile

3
Maria Valenzuela

Director and Researcher

Institute of Applied Sciences

Universidad Autonoma de Chile

Temuco, Chile

3
Rodrigo Baez

Académico

Universidad Arturo Prat

Iquique, Chile

3
Margarita Aliaga

Associate Professor

Química Física

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

2
EDWIN PÉREZ

Profesor Asociado

Departamento de Química Orgánica

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

2
EDUARDO CHAMORRO

Director CENTRO DE QUIMICA TEÓRICA & COMPUTACIONAL (CQT&C)

Departamento de Ciencias Químicas

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

2
Luisa Quesada

Docente e investigadora

Nutrición y Dietética

Universidad San Sebastián

Valdivia, Chile

2
José Pérez

Associate Professor

Biologia

Universidad Andres Bello

Santiago, Chile

2
Fernando Gonzalez

Titular Professor

Facultad de Ciencias de la Vida

Universidad Andres Bello

Santiago, Chile

2
Alvaro Elorza

FULL PROFESSOR

INSTITUTE OF BIOMEDICAL SCIENCES

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

2
Bruce Cassels

Profesor Titular

Departamento de Química

UNIVERSIDAD DE CHILE, FACULTAD DE CIENCIAS, DEPARTAMENTO DE QUÍMICA

Santiago, Chile

2
Paulina Pavez

Associate Professor

Physical Chemistry

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

2
Manuel Osorio

Docente

Medicina

UNIVERSIDAD DIEGO PORTALES

Santiago, Chile

1
Valeria Villalobos

Profesor asistente

Universidad Autónoma de Chile

Santiago, Chile

1
Daniela Andrade

academico

Universidad Austral de Chile

puerto montt , Chile

1
Daniela Millan

Academico investigador

Centro integrativo de biologia y quimica aplicada

Universidad Bernardo O'Higgins

Santiago, Chile

1
Marco Nuñez

Professor

Biology

Fac. Ciencias, Universidad de Chile

Santiago, Chile

1
Alvaro Cañete

Profesor-investigador

instituto de ciencias químicas aplicadas

Universidad Autónoma de Chile

Santiago, Chile

1
Rodrigo Quintanilla

Associate professor

Universidad Autónoma de Chile

Santiago, Chile

1
Luis Alvarez

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

1
Fabian Gonzalez

PhD(c)

Universidad de Talca

TALCA, Chile

1
Jessica Bravo

Profesor asociado, investigador jornada

UNIVERSIDAD DIEGO PORTALES

santiago, Chile

1
Jans Alzate

Associate Professor

Departamento de Bioinformática

UNIVERSIDAD DE TALCA

Talca, Chile

1
Matías Zúñiga

Postdoctorado

Centro de Bioinformática y Simulación Molecular

Universidad de Talca

TALCA, Chile

1
Alejandro Toro

PROFESOR TITULAR

Química Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

1
Patricia Perez

Full Professor

Ciencias Químicas

UNIVERSIDAD ANDRÉS BELLO

Santiago, Chile

1
Ariela Vergara

Assistant Professor

Bioinformatics

UNIVERSIDAD DE TALCA

Talca, Chile

1
GLORIA CARDENAS

Full Professor

Department of Environmental Science

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

1
Marlén Barreto

Profesor asociado

UNIVERSIDAD AUTONOMA DE CHILE

Santiago de Chile, Chile

1
Maria Ceron

Profesor Asistente

Facultad de Ingeniería

Universidad Finis Terrae

Santiago, Chile