Colección SciELO Chile

Departamento Gestión de Conocimiento, Monitoreo y Prospección
Consultas o comentarios: productividad@anid.cl
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Keywords CHEMICAL-REACTIVITY

Publicaciones

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Autores Afiliación Chile

Instituciones Chile


Disciplinas de Investigación




Muestra la distribución de publicaciones, con dominio Chile desde 2008, en las cuales se ha utilizado el keyword seleccionado.

Publicaciones WoS (Ediciones: ISSHP, ISTP, AHCI, SSCI, SCI), Scopus, SciELO Chile.


WoS #Pub
Chemistry, Physical 47
Physics, Atomic, Molecular & Chemical 34
Chemistry, Multidisciplinary 29
Biochemistry & Molecular Biology 15
Computer Science, Interdisciplinary Applications 13
Biophysics 13
Mathematics, Interdisciplinary Applications 6
Chemistry, Organic 4
Quantum Science & Technology 3
Materials Science, Multidisciplinary 2
Biology 1
Engineering, Chemical 1
Multidisciplinary Sciences 1
Chemistry, Applied 1
Chemistry, Inorganic & Nuclear 1
Nanoscience & Nanotechnology 1

Scopus #Pub
Chemistry (All) 4
Applied Mathematics 3
Surfaces, Coatings And Films 3
Electronic, Optical And Magnetic Materials 2
Physical And Theoretical Chemistry 2
Materials Chemistry 1
Biomaterials 1
Colloid And Surface Chemistry 1
Biochemistry 1
Inorganic Chemistry 1
Energy (All) 1

SciELO #Pub
Exact And Earth Sciences 1

Autores Chile


Nombre Género #Pub
PEREZ, PATRICIA Mujer 14
TORO-LABBE, ALEJANDRO Hombre 12
MARTINEZ-ARAYA, JORGE, I Hombre 12
CARDENAS, C. Hombre 11
CHAMORRO-JIMENEZ, EDUARDO ENRIQUE Hombre 10
TIZNADO, W. Hombre 10
FUENTEALBA, PABLO Hombre 10
DUQUE-NORENA, MARIO Hombre 6
MORALES-BAYUELO, ALEJANDRO Hombre 5
SALGADO, ALARCÓN GUILLERMO ENRIQUE Hombre 4
YANEZ, OSVALDO Hombre 4
GUTIERREZ-OLIVA, SOLEDAD Mujer 4
CONTRERAS, RODRIGO A. Hombre 4
JAQUE-OLMEDO, PABLO CESAR Hombre 3
AIZMAN, ARIE Hombre 3
GOMEZ-CANO, TATIANA MARIA Mujer 3
PINO-RIOS, RICARDO Hombre 3
RUIZ-HINCAPIE, LINA MARIA Mujer 3
VOHRINGER-MARTINEZ, ESTEBAN Hombre 3
CORREA-CORREA, JOSE VICENTE Hombre 2
CASSELS-NIVEN, BRUCE KENNEDY Hombre 2
INOSTROZA, DIEGO Hombre 2
PEREZ-HERNANDEZ, EDWIN GREGORIO Hombre 2
CORTES-ARRIAGADA, DIEGO Hombre 2
VILLEGAS-ESCOBAR, NERY Mujer 2
CABALLERO, JULIO Hombre 2
GUERRA-TAMAYO, DORIS LUCIA Mujer 2
ALIAGA-VIDAL, CAROLINA DEL PILAR Mujer 2
GRAND, ANDRE Hombre 2
CAROLI-REZENDE, MARCOS CAROLI Hombre 1
COUTINHO, KALINE - 1
ANGELICA DEL VALLE, MARIA Mujer 1
CONTRERAS, RENATO R. Hombre 1
KLAHN, A. HUGO - 1
PARRA-MOUCHE, JULIA Mujer 1
EAST, GASTON Hombre 1
PARRA-MOUCHET, JULIA Mujer 1
ROBLES-NAVARRO, ANDRES Hombre 1
PARRA-MOUCHET, JE - 1
CONTRERAS, RR - 1
ZEVALLOS, J Mujer 1
TORO, PATRICIA M. Mujer 1
LARENAS, J Hombre 1
MIGUEL LARENAS, JOSE - 1
IGNACIO MARTINEZ, JORGE - 1
MUNOZ-CASTRO, ALVARO Hombre 1
BRITO, IVAN Hombre 1
FAJARDO, IRIUX ALMODOVAR - 1
VASQUEZ-ESPINAL, ALEJANDRO Hombre 1
MONCADA-BASUALTO, MAURICIO Hombre 1
OLLER-LEDO, JAVIER ALEJANDRO Hombre 1
OYARZO, JUAN FERNANDO Hombre 1
CERON, MARIA L. Mujer 1
DEL VALLE, MARIA ANGELICA Mujer 1
MUÑOZ C., PATRICIO Hombre 1
SALGADO MORÁN, GUILLERMO Hombre 1
PERALTA, FRANCISCO Hombre 1
SALGADO-MORAN, GUILLERMO Hombre 1
PEREZ MUNOZ, COLOMBIA Hombre 1
ARRATIA-PEREZ, RAMIRO REZ Hombre 1
SALAZAR-GONZALEZ, RICARDO ANDRES Hombre 1
SILVA-VILLALOBOS, ALVARO Hombre 1
VALLEJOS-BURGOS, FERNANDO Hombre 1
GERLI-CANDIA, LORENA ANDREA Mujer 1
INOSTROZA-RIVERA, RICARDO Hombre 1
DIAZ-ALZAMORA, FERNANDO RAUL Hombre 1
MONCADA-REYES, JOSE LUIS Hombre 1
CARDENAS-JIRON, GLORIA INES Mujer 1
GUNTHER-SAPUNAR, GERMAN Hombre 1
GARCIA-BELTRAN, OLIMPO JOSE - 1
RADOVIC, LJUBISA R. - 1
CAMPODONICO-GALDAMES, PAOLA ROSSANA Mujer 1
BARBOZA, CRISTINA A. Mujer 1
ARECHE-MEDINA, CARLOS ALBERTO Hombre 1
VELEZ, J. Hombre 1
CISTERNA, JONATHAN Hombre 1
MORALES-MONTECINOS, JAVIER OCTAVIO Hombre 1
LEMP-MIRANDA, ELSE MONICA Mujer 1
GIRI, SANTANAB - 1
MERA-ADASME, RAUL Hombre 1
MILLAN-RETAMAL, DANIELA ANDREA Mujer 1
JARAMILLO, PAULA Mujer 1
MASCAYANO-COLLADO, CAROLINA LORENA Mujer 1
NUNEZ-VASQUEZ, ALVARO SEBASTIAN Hombre 1
ZAPATA-TORRES, GERALD Hombre 1
ARANCIBIA-GONZALEZ, RODRIGO SEBASTIAN Hombre 1
CENTENO, JESUS Hombre 1
DONOSO-MARTINEZ, DANIELA ALEJANDRA Mujer 1
NUNEZ-GONZALEZ, MARCO TULIO Hombre 1
ALIAGA-MIRANDA, MARGARITA ELLY Mujer 1
CANUTO, SYLVIO Hombre 1
SILVA-TAPIA, ALEJANDRO BORIS Hombre 1
BESSOLO, JORGE Hombre 1
ECHEGARAY-ZIPPER, ELEONORA ANA LUISA Mujer 1
PAVEZ-GUERRERO, PAULINA ISABEL Mujer 1
MACLEOD CAREY-CASTRO, DESMOND ANDRES Hombre 1
FLOREZ-YEPES, ELIZABETH Mujer 1
ZANOCCO-LOYOLA, ANTONIO LUIS Hombre 1
SANDOVAL-YANEZ, CLAUDIA Mujer 1
LUND-PLANTAT, FERNANDO CARLOS Hombre 1

Listado ordenado de autores con afiliación Chile que han utilizado el keyword seleccionado en publicaciones con dominio Chile desde 2008.

Publicaciones WoS (Ediciones: ISSHP, ISTP, AHCI, SSCI, SCI), Scopus, SciELO Chile.



Distribución por género de autores que han utilizado el keyword seleccionado en publicaciones WoS con dominio Chile desde 2008.

Es importante mencionar que si no se encuentra el nombre del autor en el diccionario (que está en permanente actualización) este no se contabiliza y su género es Indeterminado.

Porcentaje Indeterminados: 10.0 % del total de autores

Publicaciones WoS (Ediciones: ISSHP, ISTP, AHCI, SSCI, SCI), Scopus, SciELO Chile.

Instituciones Chile



Distribución de Universidades Chilenas que han utilizado el keyword seleccionado en publicaciones con dominio Chile desde 2008.

Publicaciones WoS (Ediciones: ISSHP, ISTP, AHCI, SSCI, SCI), Scopus, SciELO Chile.

Institución #Pub
Universidad Nacional Andrés Bello 41
Universidad de Chile 27
Pontificia Universidad Católica de Chile 18
Centro para el Desarrollo de la Nanociencia y la Nanotecnologia 16
Universidad Autónoma de Chile 11
Universidad de Concepción 6
Universidad de Talca 6
Universidad de Santiago de Chile 5
Núcleo Milenio Centro Interdisciplinario de Líquidos Iónicos 5
Universidad Pedro de Valdivia 4
Universidad Técnica Federico Santa María 4
Núcleo Milenio en procesos Catalíticos hacia la química Sustentable 4
Univ Pedro Valdivia 3
Universidad Finis Terrae 1
Centro de Química Teórica y Computacional (CQT&C). Facultad de Ciencias Exactas 1
Ctr Quim Teor & Computac CQT&C 1
CIMAT 1
Fondo Nacional de Desarrollo Cientifico y Tecnol Ogico (FONDECYT) 1
Núcleo Milenio de Biología Estructural de Proteínas de Membrana 1
Unidad de Desarrollo Tecnológico 1
CEDENA 1
Núcleo Milenio de Ingeniería Molecular para Catálisis y Biosensores 1
Centro para la Investigación Interdisciplinaria Avanzada en Ciencias de los Materiales 1
Universidad Metropolitana de Ciencias de la Educación 1
Universidad del Desarrollo 1
Comision Nacional de Investigacion Cientifica y Tecnologica 1
Universidad Católica de la Santísima Concepción 1
Universidad de Antofagasta 1
Universidad Católica del Norte 1
Pontificia Universidad Católica de Valparaíso 1

Publicaciones


Título Año Citas
Lewis acid-base reactivity by X-Alpha calculations 1996 0
Reactivity of Carbon Molecular Clusters from a Huckel-Type Model 2019 2
Decomposition of the electronic activity in competing [5,6] and [6,6] cycloaddition reactions between C<sub>60</sub> and cyclopentadiene 2019 10
Global and local reactivity descriptors based on quadratic and linear energy models for alpha,beta-unsaturated organic compounds 2018 16
A theoretical assessment of antioxidant capacity of flavonoids by means of local hyper-softness 2018 15
Quantitative Electrophilicity Measures 2018 14
Computation of global reactivity descriptors and first hyper polarisability as a function of torsional angle of donor-acceptor substituted biphenyl ring system 2018 1
New molecular target insights about protein kinases of the Plasmodium falciparum. Using molecular docking and DFT-based reactivity descriptors 2017 1
Insights into the Mechanism of Ground and Excited State Double Proton Transfer Reaction in Formic Acid Dimer 2017 12
Double Gold Activation of 1-Ethynyl-2-(Phenylethynyl)Benzene Toward 5-exo-dig and 6-endo-dig Cyclization Reactions 2017 20
A Fukui function-guided genetic algorithm. Assessment on structural prediction of Si-n (n=12-20) clusters 2017 8
Topological Analysis of the Fukui Function 2016 19
Proposal of a Simple and Effective Local Reactivity Descriptor through a Topological Analysis of an Orbital-Weighted Fukui Function 2017 38
The local response of global descriptors 2016 6
An explicit approach to conceptual density functional theory descriptors of arbitrary order 2016 34
A generalized operational formula based on total electronic densities to obtain 3D pictures of the dual descriptor to reveal nucleophilic and electrophilic sites accurately on closed-shell molecules 2016 12
Intrinsic relative nucleophilicity of indoles 2016 4
Analyzing the substitution effect on the CoMFA results within the framework of density functional theory (DFT) 2016 6
Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity 2016 457
Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site: a criticism about the use of net electric charges 2015 11
Analyzing torquoselectivity in electrocyclic ring opening reactions of trans-3,4-dimethylcyclobutene and 3-formylcyclobutene through electronic structure principles 2015 13
Morphology directing synthesis of benzo[a]pyrene microstructures and their photo physical properties 2015 17
New insights into steric and electronic effects in a series of phosphine ligands from the perspective of local quantum similarity using the Fukui function 2015 5
Why is the dual descriptor a more accurate local reactivity descriptor than Fukui functions? 2015 84
A single theoretical descriptor for the bond-dissociation energy of substituted phenols 2015 8
A DENSITY FUNCTIONAL THEORY STUDY ON STRUCTURE AND PROPERTIES OF BENZENE AND BORAZINE-BASED CHROMOPHORES 2014 4
Possible Use of Group 4 Metallocene Methyl Cations as Potential Neutralizers for FOX-7 2014 2
Deamination features of 5-hydroxymethylcytosine, a radical and enzymatic DNA oxidation product 2014 3
Aggregation induced emission enhancement from Bathophenanthroline microstructures and its potential use as sensor of mercury ions in water 2014 38
Spin-polarized reactivity indices from density functional theory: theory and applications 2009 8
Morphology directing synthesis of 1-pyrene carboxaldehyde microstructures and their photo physical properties 2014 14
THEORETICAL STUDY OF COMPLEXES OF THE TYPE [Pt-3(M-L)(3)(L ')(3)]-X (L=CO,SO2,CNH; L '=PH3,CNH; X=Tl+, Hg-0, MPH3+ (M = Cu, Au, Ag)) 2013 2
Substituent effects on reactivity of 3-cinnamoylcoumarins with thiols of biological interest 2014 5
On the exponential model for energy with respect to number of electrons 2013 24
An intermediate level of approximation for computing the dual descriptor 2013 3
Explaining reaction mechanisms using the dual descriptor: a complementary tool to the molecular electrostatic potential 2013 30
Topological analysis of tetraphosphorus oxides (P4O6+n (n=0-4)) 2013 4
Why is quercetin a better antioxidant than taxifolin? Theoretical study of mechanisms involving activated forms 2013 29
Intrinsic Relative Scales of Electrophilicity and Nucleophilicity 2013 16
Global and local reactivity indexes applied to understand the chemistry of graphene oxide and doped graphene 2013 18
Topological model to quantify the global reactivity indexes as local in Diels-Alder reactions, using density function theory (DFT) and local quantum similarity (LQS) 2013 12
A Local Extension of the Electrophilicity Index Concept 2012 13
Insights into the Mechanism of an S(N)2 Reaction from the Reaction Force and the Reaction Electronic Flux 2012 31
Ground and excited state similarity studies by means of Fukui and dual-descriptor matrices 2012 5
Revisiting caffeate's capabilities as a complexation agent to silver cation in mining processes by means of the dual descriptor-a conceptual DFT approach 2012 32
Singlet Oxygen Reactions with Flavonoids. A Theoretical - Experimental Study 2012 45
Theoretical study of 3,3 ' substitution of 9,9,9 ',9 '-tetramethyl-fluorene-dimers 2012 1
The Woodward-Hoffmann Rules Reinterpreted by Conceptual Density Functional Theory 2012 111
Intrinsic electronic reorganization energy in the electron transfer from substituted N,N-dimethylanilines to phthalimide N-oxyl radical 2012 4
Fukui and dual-descriptor matrices in the basis-set representation: A spin-free approach 2012 7
Electronic activity in chelotropic and cycloaddition reactions 2012 3
Assembling Small Silicon Clusters Using Criteria of Maximum Matching of the Fukui Functions 2011 15
The nucleophilicity N index in organic chemistry 2011 322
On the mechanism of nascent site deactivation in graphene 2011 40
A through-space charge transfer mechanism for explaining the oxidation of 2-chlorophenol on a tetrasulphonated nickel(III) phthalocyanine 2011 6
The dual descriptor: Working equations applied on electronic open-shell molecular systems 2011 14
Big Bang Methodology Applied to Atomic Clusters 2011 11
Electropolymerization of 3 ',4 '-disubstituted 2,2 ':5 ',2 ''-terthiophene derivatives. A theoretical and photovoltaic characterization 2011 3
The dual descriptor to measure local reactivity on Buckminster fullerenes: an analysis within the framework of conceptual DFT 2010 27
Regioselectivity of Radical Additions to Substituted Alkenes: Insight from Conceptual Density Functional Theory 2010 15
Topological Analysis of the Fukui Function 2010 76
Global and local reactivity of N-heterocyclic carbenes with boron and phosphorus atoms: An analysis based on spin polarized density functional framework 2010 5
On the Nucleophilicity of Boryllithium Compounds. A Theoretical Study 2009 14
Solvent Effects on Global Reactivity Properties for Neutral and Charged Systems Using the Sequential Monte Carlo Quantum Mechanics Model 2009 20
Electrophilicity of quinones and its relationship with hydride affinity 2009 23
Nucleophilicity and electrophilicity of silylenes from a molecular electrostatic potential and dual descriptor perspectives 2009 17
A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions 2009 185
On the Principle of Spin Potential Equalization 2009 3
Theoretical Study of the Regioselectivity of [2+2] Photocycloaddition Reactions of Acrolein with Olefins 2009 41
A further exploration of a nucleophilicity index based on the gas-phase ionization potentials 2008 299
Dual descriptors within the framework of spin-polarized density functional theory 2008 43
The study of redox reactions on the basis of conceptual DFT principles: EEM and vertical quantities 2008 49
Two state reactivity mechanism for the rearrangement of hydrogen peroxynitrite to nitric acid 2008 13
On the nature of the active site in bis(imino)pyridyl iron, a catalyst for olefin polymerization 2008 36
Theoretical study of the surface reactivity of alkaline earth oxides:: Local density of states evaluation of the local softness 2008 30
Molecular orbital calculations of hydrogen bonding in ammonia - Formic acid system in the presence of electric fields 2004 1
Quantitative representation of reactivity, selectivity and site activation concepts in organic chemistry@ 2004 8
A theoretical analysis of the Kohn-Sham and Hartree-Fock orbitals and their use in the determination of electronic properties 2003 59
Computing the Fukui Function in Solid-State Chemistry: Application to Alkaline Earth Oxides Bulk and Surfaces 2020 12
Doped deltahedral organo-Zintl superalkali cations 2020 3
Computational study of the binding mode, action mechanism and potency of pregabalin through molecular docking and quantum mechanical descriptors 2021 1
Evaluation of trypanocidal properties of ferrocenyl and cyrhetrenyl <i>N</i>-acylhydrazones with pendant 5-nitrofuryl group 2021 6
Can Superhalogen Ligand Make More Reactive Frustrated Lewis Pairs? 2021 4
Interfacial kinetics in olive oil-in-water nanoemulsions: Relationships between rates of initiation of lipid peroxidation, induction times and effective interfacial antioxidant concentrations 2021 14
Theoretical study of cyano-promoted intramolecular aza-Diels-Alder reaction 2023 0
On the Prediction of Lattice Energy with the Fukui Potential: Some Supports on Hardness Maximization in Inorganic Solids 2022 6
Interactions and reactivity in crystalline intermediates of mechanochemical cyclorhodation reactions 2024 1
The dual descriptor potential 2024 0

Listado ordenado de publicaciones con dominio Chile que han utilizado el keyword seleccionado desde 2008.

Publicaciones WoS (Ediciones: ISSHP, ISTP, AHCI, SSCI, SCI), Scopus, SciELO Chile.

Localización regional de las publicaciones con dominio Chile que han utilizado el keyword seleccionado desde 2008.

Publicaciones WoS (Ediciones: ISSHP, ISTP, AHCI, SSCI, SCI), Scopus, SciELO Chile.

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Departamento Gestión de Conocimiento, Monitoreo y Prospección
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Consultas o comentarios: productividad@anid.cl