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Juan Carlos Santos Vargas

UNIVERSIDAD ANDRES BELLO

santiago, Chile

Corrosión de cobre, Química Teórica y Computacional; Caracterización de Reacciones Químicas; Química Teórica y Química Cuantica; Deslocalización electrónica y aromaticidad en Sistemas químicos; Enlace químico y Estructura electrónica


Synthesis of new star-like triply ferrocenylated compounds Santos, JC; Madrid-Moline, F; Cisternas, CA; Paul F.; Escobar, CA; Jara-Ulloa, P; Trujillo, A Article ISI SCOPUS INORGANICA CHIMICA ACTA (2019)
Molecular and Crystalline Structure of the Ruthenium(II) Complex [{trans-(dppe) 2 (Cl) Ru–C?C–H} · 0.5CDCl 3 ]: An Additional Determination Escobar C.A.; Madrid-MolinÃ© F.; Fuentealba M.; Santos, J. C.; Jara-Ulloa P.; Trujillo A. Article ISI SCOPUS Crystallography Reports (2018)
1,2,3-Benzotriazole derivatives adsorption on Cu(111) surface: A DFT study Saavedra-Torres, M; Escobar, CA; Ocayo, F; Tielens, F; Santos, JC Article ISI SCOPUS Chemical Physics Letters (2017)
New ferrocenyl-chalcones and bichalcones=> Synthesis and characterization Trujillo, Alexander; Ocayo, Fernanda; Artigas, Vania; Santos, Juan C.; Jara-Ulloa, Paola; Kahlal, Samia; Saillard, Jean-Yves; Fuentealba, Mauricio; Escobar, Carlos A. Article TETRAHEDRON LETTERS (2017)
Synthesis and characterization of new mono and bi-nuclear ferrocene derivatives connected via a cross-conjugated prop-2-en-1-one bridge Escobar, Carlos A.; Gutierrez, Daniela; Verdugo, Miguel; Madrid, Franco; Santos, Juan C. ; Jara-Ulloa, Paola; Trujillo, Alexander Article JOURNAL OF ORGANOMETALLIC CHEMISTRY (2017)
Dibenzyl disulfide adsorption on Cu(111) surface: a DFT study Saavedra-Torres, Mario, Tielens, Frederik, Santos, Juan C. Article THEORETICAL CHEMISTRY ACCOUNTS (2016)
Dibenzyl disulfide adsorption on Cu(111) surface: a DFT study Saavedra-Torres, Mario; Tielens, Frederik; Santos, Juan C Article SCOPUS Theoretical Chemistry Accounts (2016)
Synthesis, Characterization and Chrystal Structure of 4´-ethynylflavanone and its Chalcone Precursor Salinas-Ortega, Ismael; Ocayo, Fernanda; Santos, Juan C.; Trujillo, Alexander; Escobar, Carlos A. Article JOURNAL OF MOLECULAR STRUCTURE (2016)
Theoretical study of dibenzyl disulfide adsorption on Cu-7 cluster as a first approximation to sulfur-induced copper corrosion process Saavedra-Torres, Mario; Jaque, Pablo; Tielens, Frederik; Santos, Juan C Article ISI SCOPUS Theoretical Chemistry Accounts (2015)
Theoretical Study of Dibenzyl Disulfide Adsorption on Cu7 Cluster as a First Approximation to Sulfur-Induced Copper Corrosion Process Saavedra-Torres, M.; Jaque, P.; Tielens,F. ; Santos, J. C. Article Theoretical Chemistry Accounts (2015)
Stability analysis of lithio-silicon Si10Li8 clusters: Planar bicyclic ring vs. three-dimensional structures Donoso-Tauda, Oscar; Yepes, Diana; Jaque, Pablo; Santos, Juan C. Article chemical physics letters (2014)
Synthesis, characterization and crystal structure of 2´, 2´´-dihydroxy-3,3´´´-bichalcone and its related chalcone–flavanone and biflavanone analogs Escobar, Carlos A.; Fernández, Williams A.; Trujillo, Alexander; Santos, Juan C.; Roisnel, Thierry; Fuentealba, Mauricio Article Tetrahedron Letters (2014)
Fine structure in the transition region: reaction force analyses of water-assisted proton transfers Yepes D.; Murray, JS; Santos, JC; Toro-Labbe, A; Politzer, P; Jaque, P Article ISI SCOPUS Journal of Molecular Modeling (2013)
Fine structure in the Transition Region: Reaction Force of Water-assisted proton transfers Yepes, Diana; Murray, Jane; Santos, Juan C.; Toro-Labbe, Alejandro; Politzer, Peter; Jaque, Pablo Article Journal of molecular modeling (2013)
Structure and stability of the Si4Lin (n=1-7) binary clusters Osorio E., Villalobos V.; Santos J.C., Donald K.J.; Merino G., Tiznado W. Article Chemical Physics Letters (2012)
Structure and stability of the Si4Lin (n=1-7) binary clusters Osorio E.; Villalobos V.; Santos J.C.; Donald K.J.; Merino G.; Tiznado W. Article CHEMICAL PHYSICS LETTERS (2012)
Structure and stability of the Si4Lin (n=1-7) binary clusters Osorio, E; Villalobos, V.; Santos, J. C.; Donald, K. J.; Merino, G; Tiznado, W Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2012)
Theoretical study of the Si5-n(BH)(n)(2-) and Na(Si5-n(BH)(n))(-) (n=0-5) systems Osorio E.; Sergeeva A.P.; Santos J.C.; Tiznado W. Article PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Theoretical study of the Si5-n(BH)(n)(2-) and Na(Si5-n(BH)(n))(-) (n=0-5) systems Osorio, E; Sergeeva A.P.; Santos, J. C.; Tiznado, W Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Theoretical study of the Si5-n(BH)(n)(2-) and Na(Si5-n(BH)(n))(-) (n=0-5) systems Osorio E., Sergeeva A.P.; Santos J.C., Tiznado W. Article Physical Chemistry Chemical Physics (2012)
Electron Localization Function as a Measure of Electron Delocalization and Aromaticity Fuentealba P.; Santos, JC Article ISI CURRENT ORGANIC CHEMISTRY (2011)
Electron localization function as a measure of electron delocalization and aromaticity Fuentealba, Patricio; Santos, Juan C. Article Current Organic Chemistry (2011)
Theoretical analysis based on X-H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X-H---p complexes Donoso-Tauda, Oscar ; Jaque, Pablo; Santos, Juan C. Article Physical Chemistry Chemical Physics (2011)
Theoretical analysis based on X-H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X-H?? complexes Donoso-Tauda, O; Jaque, P; Santos, J. C. Article PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Structure and stability of Si6Li6: Aromaticity vs polarizability Santos, JC; Contreras M.; Merino, G Article ISI SCOPUS Chemical Physics Letters (2010)
Structure and Stability of Si6Li6: Aromaticity vs Polarizability Santos, Juan C.; Contreras, Maryel; Merino, Gabriel Article Chemical Physics Letters (2010)
Substituent effects in the mechanism of mono-substituted acetylene trimerization: A topological analysis of the electron localization function Donoso-Tauda, Oscar; Aizman, Arie; Escobar, Carlos A.; Santos, Juan C. Article Chemical Physics Letters (2009)
Substituent effects in the mechanism of mono-substituted acetylene trimerization: A topological analysis of the electron localization function Donoso-Tauda, O; Aizman A.; Escobar, CA; Santos, JC Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2009)
Chapter 5 Understanding and using the electron localization function Fuentealba P.; Chamorro, E.; Santos, J. C. Article SCOPUS Theor Comput Chem (2008)
A theoretical scale for pericyclic and pseudopericyclic reactions Chamorro, E.; Notario, R.; Santos, J.C.; Perez, P. Article chemical physics letters (2007)
Aromaticity and electronic structure of silabenzenes. Possible existence of a new cluster Si6Li6 Santos, Juan C.; Fuentealba, Patricio Article chemical physics letters (2007)
Borazine: To be or not to be aromatic Islas, Rafael; Chamorro, Eduardo; Robles, Juvencio; Heine, Thomas; Santos Juan C.; Merino, Gabriel Article Structural chemistry (2007)
Theoretical Study on CDK2 Inhibitors Using a Global Softness Obtained from the Density of States Alzate-Morales, Jans H.; Tiznado, William; Santos, Juan C.; Cardenas, Carlos; Contreras, Renato Article The journal of physical chemistry B (2007)
Electrophilicity and spin polarization of simple substituted silylenes Chamorro, E.; Santos, J.C.; Escobar, C.A.; Perez, P. Article Chemical physics letters (2006)
A Theoretical Study on the Reaction Mechanism for the Bergman Cyclization from the Perspective of the Electron Localization Function and Catastrophe Theory, Santos, Juan C.; Andres, Juan; Aizman, Arie; Fuentealba, Patricio; Polo, Victor Article The journal of physical chemistry A (2005)
An Aromaticity Scale Based on the Topological Analysis of the Electron Localization Function Including s and p Contributions, Santos, Juan C.; Andres, Juan; Aizman, Arie; Fuentealba, Patricio Article Journal of chemical theory and computation (2005)
An electron localization function study of the trimerization of acetylene: reaction mechanism and development of aromaticity, Santos, Juan C.; Polo, Victor; Andres, Juan. Article Chemical physics letters (2005)
Condensation of the electron Localization Function using the Highest Occupied Molecular Orbital Chamorro, E.; Duque, M.; Cardenas, C.; Santos, J. C.; Tiznado, W.; Fuentealba, P. Article journal of chemical sciences (2005)
Local reactivity index as descriptor of benzene adsorption in cluster models of exchanged zeolite-Y Santos, Juan C.; Chamorro, Eduardo; Contreras, Renato; Fuentealba, Patricio Article Chemical physics letters (2004)
Sigma-pi separation of the electron localization function and aromaticity Santos,J. C.; Tiznado, W.; Contreras R.; Fuentealba, P. Article journal of chemical physics (2004)
Theoretical characterization of linear [n]-ladderanes and some isomers Santos, Juan C.; Fuentealba, Patricio Article Chemical physics letters (2003)
Local reactivity index defined through the density of states describes the basicity of alkaline-exchanged zeolites Santos, Juan C.; Contreras, Renato; Chamorro, Eduardo; Fuentealba, Patricio Article Journal of chemical physics (2002)
The Bonding Nature of Some Simple Sigmatropic Transition States from the Topological Analysis of the Electron Localization Function Chamorro, Eduardo; Santos, Juan C.; Gomez, Badhin; Contreras, Renato; Fuentealba, Patricio Article The journal of physical chemistry A (2002)
The markovnikov regioselectivity rule in the light of site activation models, Aizman, A.; Contreras, R.; Galvan, M.; Cedillo, A.; Santos, J. C.; Chamorro, E. Article The journal of physical chemistry A (2002)
Scrutiny of the HSAB Principle in some representative Acid-Base reactions Chattaraj, Pratim; Gomez, Badhin; Chamorro, E.; Santos, J.; Fuentealba. P. Article The journal of physical chemistry A (2001)
Scrutiny of the HSAB principle in some representative acid-base reactions Chattaraj, PK; Gómez B.; 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 studie of the [1,3] sigmatropic shift of fluorine in 3-Fluorpropene Chamorro, E.; Santos, Juan C.; Gómez, Badhin; Contreras, R.; Fuentealba, P. Article journal of chemical physics (2001)


Structure and stability of the Si4Lin (n = 1-7) binary clusters (vol 522, pg 67, 2012) Osorio, E; Villalobos, V.; Santos, J. C.; Tiznado, W; Merino, G; Donald, K. J. Errata ISI SCOPUS Chemical Physics Letters (2012)