Colección SciELO Chile

Departamento Gestión de Conocimiento, Monitoreo y Prospección
Consultas o comentarios: productividad@anid.cl
Búsqueda Publicación
Búsqueda por Tema Título, Abstract y Keywords



Keywords DFT

Publicaciones

Citas Totales

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, Multidisciplinary 85
Chemistry, Physical 85
Biochemistry & Molecular Biology 37
Physics, Atomic, Molecular & Chemical 34
Computer Science, Interdisciplinary Applications 25
Chemistry, Inorganic & Nuclear 25
Crystallography 20
Materials Science, Multidisciplinary 19
Biophysics 19
Chemistry, Organic 17
Physics, Condensed Matter 12
Quantum Science & Technology 10
Mathematics, Interdisciplinary Applications 10
Spectroscopy 9
Electrochemistry 8
Physics, Applied 6
Chemistry, Applied 5
Energy & Fuels 5
Engineering, Chemical 5
Nanoscience & Nanotechnology 5
Materials Science, Coatings & Films 3
Biochemical Research Methods 3
Chemistry, Analytical 3
Mathematical & Computational Biology 3
Metallurgy & Metallurgical Engineering 2
Polymer Science 2
Physics, Fluids & Plasmas 2
Nuclear Science & Technology 2
Materials Science, Textiles 2
Chemistry, Medicinal 2
Engineering, Electrical & Electronic 2
Materials Science, Ceramics 2
Pharmacology & Pharmacy 2
Physics, Mathematical 2
Engineering, Environmental 1
Optics 1
Green & Sustainable Science & Technology 1
Instruments & Instrumentation 1
Microbiology 1
Toxicology 1
Medicine, Research & Experimental 1
Multidisciplinary Sciences 1
Computer Science, Information Systems 1
Psychiatry 1
Neurosciences 1
Biotechnology & Applied Microbiology 1

Scopus #Pub
Chemistry (All) 22
Materials Chemistry 7
Chemical Engineering (All) 6
Physical And Theoretical Chemistry 6
Materials Science (All) 6
Biochemistry 5
Spectroscopy 3
Organic Chemistry 3
Physics And Astronomy (All) 3
Computer Graphics And Computer Aided Design 3
Industrial And Manufacturing Engineering 3
Electronic, Optical And Magnetic Materials 2
Process Chemistry And Technology 2
Condensed Matter Physics 2
Inorganic Chemistry 1
Toxicology 1
Drug Discovery 1
Surfaces And Interfaces 1
Surfaces, Coatings And Films 1
Pollution 1
Analytical Chemistry 1
Energy (All) 1
Fuel Technology 1
Surgery 1
Plant Science 1
Neurology (Clinical) 1
Renewable Energy, Sustainability And The Environment 1
Waste Management And Disposal 1
Colloid And Surface Chemistry 1
Biotechnology 1
Psychiatry And Mental Health 1
Multidisciplinary 1

SciELO #Pub
Exact And Earth Sciences 11
Health Sciences 1

Autores Chile


Nombre Género #Pub
ZARATE, XIMENA Mujer 36
PARRA, JOSE G. Hombre 31
MUNOZ-CASTRO, ALVARO Hombre 23
ARRATIA-PEREZ, RAMIRO REZ Hombre 19
KUZNETSOV, ALEKSEY E. Hombre 18
GOMEZ-JERIA, JUAN SEBASTIAN Hombre 13
SALGADO, ALARCÓN GUILLERMO ENRIQUE Hombre 13
PEREZ, PATRICIA Mujer 12
MACLEOD CAREY-CASTRO, DESMOND ANDRES Hombre 12
CORTES-ARRIAGADA, DIEGO Hombre 10
MERA-ADASME, RAUL Hombre 10
TORO-LABBE, ALEJANDRO Hombre 10
MANRIQUEZ, JUAN MANUEL Hombre 10
CHAVEZ-MADARIAGA, IVONNE AIDA Mujer 9
MARTINEZ-CIFUENTES, MAXIMILIANO Hombre 8
ARAYA-MATURANA, RAMIRO JUAN Hombre 8
GERLI-CANDIA, LORENA ANDREA Mujer 7
MORALES-VERDEJO, CESAR AARON Hombre 7
DELGADO-RAMIREZ, EDUARDO JOSE Hombre 7
CARRENO-GONZALEZ, ALEXANDER MARCELO Hombre 6
RAMIREZ-TAGLE, RODRIGO Hombre 6
BUSTOS-FUENZALIDA, CARLOS JUAN Hombre 6
CHAMORRO-JIMENEZ, EDUARDO ENRIQUE Hombre 6
CAMARADA, MARIA BELEN Mujer 5
ADAMS WRIGHTON, CHRISTOPHER WILLIAM Hombre 5
WEISS-LÓPEZ, BORIS Hombre 5
VASQUEZ-ESPINAL, ALEJANDRO Hombre 5
SAAVEDRA-TORRES, MARIO Hombre 5
LAROZE, D. Hombre 5
PEREZ, LAURA M. Mujer 5
HIDALGO-ROSA, YOAN Hombre 4
SANTOS, JUAN CARLOS Hombre 4
VEGA, ANDRES Hombre 4
OLEA AZAR, CLAUDIO Hombre 4
FUENTES, JUAN A. Hombre 4
GONZALEZ-ROCHA, G. Hombre 4
HERRERA-PISANI, BARBARA Mujer 4
CARDONA-VILLADA, WILSON Hombre 4
SOTO-DELGADO, JORGE Hombre 4
JAQUE-OLMEDO, PABLO CESAR Hombre 4
FLEMING, GUILLERMO DIAZ Hombre 4
ROBLES-NAVARRO, ANDRES Hombre 4
ROJAS, SUSANA Mujer 4
PAEZ-HERNANDEZ, DAYAN - 4
VALDÉS-GÓMEZ, HÉCTOR Hombre 4
DIAZ-RIQUELME, PABLO IVAN Hombre 3
ACEVEDO, R. Hombre 3
ARRUE, LILY Mujer 3
ZUNIGA-LOYOLA, CESAR Hombre 3
DUQUE-NORENA, MARIO Hombre 3
FUENTEALBA, PABLO Hombre 3
MARTINEZ-ARAYA, JORGE, I Hombre 3
VENEGAS-YAZIGI, DIEGO Hombre 3
CANON-MANCISIDOR, WALTER ALBERTO Hombre 3
CARDENAS-JIRON, GLORIA INES Mujer 3
LIZANA-BASTIAS, IGNACIO Hombre 3
CLAVERIA-CADIZ, FRANCISCA Mujer 3
ZAGAL-MOYA, JOSE HERACLITO Hombre 3
PREITE, M. Hombre 3
JANA-VILLALOBOS, GONZALO ALFREDO Hombre 3
PAREDES-GARCIA, VERONICA DEL ROSARIO Mujer 3
GONZALEZ-NILO, FERNANDO D. Hombre 3
MELLADO-GARCIA, MARCO ANDRES Hombre 3
ZAMORA-YATES, PEDRO PABLO Hombre 3
ALIAGA, A. E. Hombre 3
ESCOBAR-ZAPATA, CARLOS ALFONSO Hombre 3
SPODINE-SPIRIDONOVA, EVGENIA Mujer 3
DE-LA-TORRE, ALEXANDER F. Hombre 3
VALDEBENITO-GAMBOA, JAVIER Hombre 3
RODRIGUEZ-KESSLER, PETER L. Hombre 3
GACITUA, MANUEL Hombre 3
SALGADO-MORAN, GUILLERMO Hombre 3
MIRANDA-ROJAS, SEBASTIAN Hombre 3
OTERO, MARIA CAROLINA Mujer 3
PECCHI, GINA Mujer 3
SCHOTT, EDUARDO Hombre 3
MONROY-CARDENAS, MATIAS Hombre 3
SUAREZ-MORELL, ERIC Hombre 3
ALDERETE, J Hombre 2
PAVEZ, J Hombre 2
GRACIA, FRANCISCO J. Hombre 2
WRIGHTON-ARANEDA, KERRY Mujer 2
VELASQUEZ, L. Hombre 2
MENENDEZ-PROUPIN, EDUARDO Hombre 2
AGUILAR-CAVALLO, LUIS FELIPE Hombre 2
GOMEZ-CANO, TATIANA MARIA Mujer 2
ARECHE-MEDINA, CARLOS ALBERTO Hombre 2
SALDIAS-PEREZ, MARIANELA Mujer 2
RUBY-FIGUEROA, RENE Hombre 2
ORTEGA, DANIELA E. Mujer 2
BARRIENTOS-POBLETE, LORENA JULIETA Mujer 2
GONZALEZ, JHON W. - 2
TIZNADO, W. Hombre 2
ROJAS-GUERRERO, RENE SEGUNDO Hombre 2
KARELOVIC, ALEJANDRO Hombre 2
VILLEGAS-ESCOBAR, NERY Mujer 2
OCAYO, FERNANDA Mujer 2
NOVOA, NESTOR Hombre 2
BIEGER, K. Hombre 2
GUAJARDO MATURANA, RAUL Hombre 2
ARANEDA, JUAN FELIPE Hombre 2
OEHNINGER, LUCIANO Hombre 2
ARAYA-FIGUEROA, PAULO ENRIQUE Hombre 2
CONEJEROS, SERGIO Hombre 2
ECHEVERRIA-LEAL, CRISTIAN MAURICIO Hombre 2
SANTANDER-NELLI, MIREYA Mujer 2
ARANCIBIA-GONZALEZ, RODRIGO SEBASTIAN Hombre 2
FREDES, CARLOS Hombre 2
VALDES-LEYTON, JORGE EDUARDO Hombre 2
CAMPOS-VALLETTE, MARCELO MARIANO Hombre 2
MEJIA-LOPEZ, JOSE Hombre 2
TOLEDO-RAMIREZ, PEDRO GONZALO Hombre 2
SANCHEZ-GONZALEZ, RODRIGO Hombre 2
GUTIERREZ-OLIVA, SOLEDAD Mujer 2
MARRUGO, KELLY P. Mujer 2
CELIS, F. Hombre 2
OPAZO, LUCÍA Mujer 2
ALARCÓN, JAIME Hombre 2
ARDILES, CARLOS SOLOAGA Hombre 2
GAZZARI, SASHA Hombre 2
MARTÍNEZ-DÍAZ, IVÁN Hombre 2
MARTINEZ, IVAN Hombre 2
BARRA, TOMAS Hombre 2
SALGADO, GUILLERMO Hombre 2
MORALES-GUEVARA, ROSALY - 2
SALGADO, G. - 2
CARDONA, W. - 2
GERLI, L. - 2
RAMIREZ-TAGLE, R. - 2
SANTIBANEZ, DANIEL Hombre 2
ALVARADO-SOTO, LEONOR Mujer 2
CONCEPCIÓN, ODETTE Mujer 2
MUÑOZ, FRANCISCO J. Hombre 2
TRETO-SUÁREZ, MANUEL A. Hombre 2
ZAMBRANO, DARIO Hombre 2
POLANCO, RUBÉN Hombre 2
CERON, MARIA L. Mujer 2
SOBARZO-SANCHEZ, EDUARDO Hombre 2
BORGES-MARTINEZ, MERLYS - 2
HARIBABU, JEBITI - 2
ORELLANA, WALTER Hombre 2
ROSENKRANZ, ANDREAS Hombre 2
SANTIBANEZ, JUAN F. Hombre 2
ESTAY, HUMBERTO Hombre 2
ALEGRIA, MELISSA Mujer 2
TIUTIUNNYK, ANTON Hombre 2
QUEZADA, GONZALO R. Hombre 2
ALCAZAR, JACKSON J. Hombre 2
ROJAS, VANIA Mujer 1
SERICHE, GABRIEL Hombre 1
MELLA-RAIPAN, JAIME ALBERTO Hombre 1
SALAS-SANCHEZ, CRISTIAN OSVALDO Hombre 1
ARMISEN, R. Hombre 1
FERNANDEZ, KAMILA Mujer 1
SAEZ-CORTEZ, FELIPE Hombre 1
SANHUEZA-VEGA, LUIS ALEJANDRO Hombre 1
RAMIREZ-SANCHEZ, DAVID MAURICIO Hombre 1
HEVIA, SAMUEL Hombre 1
CORREA, SEBASTIAN A. Hombre 1
PARRA, CLAUDIO Hombre 1
TORO, NORMAN Hombre 1
VALLEJOS, GABRIEL A. Hombre 1
CUELLAR-FRITIS, MAURICIO Hombre 1
LIMONGI, M. Hombre 1
VOHRINGER-MARTINEZ, ESTEBAN Hombre 1
SANTOS, L. S. Hombre 1
CASANOVA-PAEZ, M. Hombre 1
GAETE, JOSE Hombre 1
MUNOZ-BECERRA, KARINA Mujer 1
DOUGLAS-GALLARDO, OSCAR A. Hombre 1
CAMACHO GONZALEZ, JOHANNA Mujer 1
SOLIS, MIGUEL A. Hombre 1
CISTERNA, JONATHAN Hombre 1
ARCE, R. Mujer 1
URZUA-LEIVA, RODRIGO Hombre 1
CIFUENTES-VACA, OLGA L. Mujer 1
PAEZ-COLLIO, MARITZA ANGELICA Mujer 1
MTZ-ENRIQUEZ, A., I - 1
TOLEDO, F. Hombre 1
DOMINGUEZ, MOISES Hombre 1
ALVARADO, OMAR Hombre 1
ROMERO, JAIME Hombre 1
GUZMAN-ANGEL, DANIELA Mujer 1
VOGEL-MATAMALA, EUGENIO EMILIO Hombre 1
OLEA ULLOA, CAROLINA Mujer 1
MONTECINOS, RODRIGO Hombre 1
ARAYA, EYLEEN - 1
ABRIL-MILAN, DIANA Mujer 1
ORTIZ, PEDRO D. Hombre 1
RECIO-SANCHEZ, GONZALO Hombre 1
REYNA-JELDES, MAURICIO Hombre 1
LINARES-FLORES, CRISTIAN Hombre 1
CAMPANINI-SALINAS, J. Hombre 1
PEREZ-DONOSOL, JOSE MANUEL Hombre 1
VARGAS, E. - 1
RINCON- BEDOYA, ELIZABETH ADRIANA Mujer 1
HUENTUPI, YOSSELIN - 1
GONZALEZ-FUENTES, CLAUDIO ALEJANDRO Hombre 1
RAMIREZ-RODRIGUEZ, ONEY OSCAR - 1
FLOREZ, JUAN M. Hombre 1
JIMENEZ-CONCEPCION, ROMEL MARIO Hombre 1
ZAMBRANO, D. Hombre 1
GIM-KRUMM, MINGHAI - 1
VALLEJOS-CONTRERAS, GABRIEL Hombre 1
GUTIERREZ-GALLARDO, GONZALO JAVIER Hombre 1
NORAMBUEN, LORENA Mujer 1
CARMONA-RAMMSY, DANILO JAVIER Hombre 1
MONTERO-ALEJO, ANA L. Mujer 1
LEAL-MEJIAS, MATIAS SEBASTIAN Hombre 1
MARTINEZ, URSULA Mujer 1
ROSALES, LUIS Hombre 1
KLAHN-OLIVA, ADALBERTO HUGO Hombre 1
GARCIA-BELTRAN, OLIMPO JOSE - 1
RAMIREZ TAGLE, R. - 1
GONZALEZ-HENRIQUEZ, CARMEN M. Mujer 1
SARABIA-VALLEJOS, MAURICIO A. Hombre 1
TERRAZA, CLAUDIO A. Hombre 1
DIAZ-ACOSTA, SILVIA ANDREA Mujer 1
GOMEZ-JERIA, JUAN S. Hombre 1
VALDEBENITO-GAMBOA, JAVIER Hombre 1
GOMEZ-JERIA, JUAN S. Hombre 1
ROBLES-NAVARRO, ANDRES Hombre 1
GOMEZ-JERIA, JUAN S. Hombre 1
ROBLES-NAVARRO, ANDRES Hombre 1
GOMEZ-JERIA, JUAN S. Hombre 1
ROBLES-NAVARRO, ANDRES Hombre 1
REY, MARINA Mujer 1
SANCY-VELASQUEZ, MAMIE ODETTE Mujer 1
BALLESTEROS, L. Hombre 1
GAM, FRANCK Hombre 1
BARRIA, CLAUDIO Hombre 1
DIAZ-ALZAMORA, FERNANDO RAUL Hombre 1
INOSTROZA-RIVERA, RICARDO Hombre 1
SILVA-JIMENEZ, MAURICIO ERCIARIO Hombre 1
BRAVO, MANUEL A. Hombre 1
CARDENAS, C. Hombre 1
TAPIA-ZARRICUETA, RICARDO ALFREDO Hombre 1
PEREZ-DE ARMAS, ANDY JORGE Hombre 1
ESCALONA-BURGOS, NESTOR GUILLERMO Hombre 1
BASAEZ, L. Hombre 1
SILVA-MOLINA, CARLOS PATRICIO Hombre 1
TELLO-ZAMORANO, ALEJANDRA ANDREA Mujer 1
PIZARRO-URZUA, NANCY ALEJANDRA Mujer 1
VOGT-GEISSE, STEFAN Hombre 1
CLAVIJO-ALLANCAN, GRACIELA Mujer 1
ZUNIGA-HORMAZABAL, PAMELA Mujer 1
LEYTON-BONGIORNO, PATRICIO ALEJANDRO Hombre 1
FIGUEROA-FOESSEL, XAVIER HORACIO Hombre 1
PARRA-MATUS DE LA PARRA, MARÍA LUCRECIA Mujer 1
UGARTE-VELASQUEZ, RICARDO ANTONIO Hombre 1
CHIARELLO-PENARANDA, DELIA INDIRA Mujer 1
MAURELIA, R. - 1
DAGNINO-LEONE, JORGE ALEJANDRO Hombre 1
BUNSTER-BALOCCHI, MARTA CECILIA Mujer 1
MORENO-VILLOSLADA, IGNACIO Hombre 1
MUNOZ PEREZ, JOSE Hombre 1
LLANOS CABRERA, JEANETTE Mujer 1
SIMON-PINO, FELIPE ALONSO Hombre 1
DIAZ, KATY Mujer 1
URRUTIA-PEREZ, ROBERTO ENRIQUE Hombre 1
VACA, INMACULADA Mujer 1
MONTORFANO, IGNACIO Hombre 1
PEDRAJA-REJAS, LILIANA MARINA Mujer 1
ARANDA-ZAPATA, BRAULIO SEBASTIAN Hombre 1
MADRID-VILLEGAS, ALEJANDRO MARTIN Hombre 1
VILLARROEL, ROBERTO Hombre 1
PAREDES-GIL, KATHERINE Mujer 1
ESPINOZA-VERGARA, J. Hombre 1
FAUNDEZ-GUTIERREZ, RODRIGO Hombre 1
BORGNA-CHRISTIE, VINCENZO Hombre 1
NAVEAS-RIOS, NELSON Hombre 1
ALVAREZ-THON, LUIS Hombre 1
BELMAR-MELLADO, JULIO BERNARDO Hombre 1
VALENZUELA, NINNETTE - 1
GARCIA-ALIMENTI, GRISELDA NOEMI Mujer 1
BURGOS-OLAVARRIA, FRANCISCO Hombre 1
ABARCA-ANJARI, GABRIEL NELSON Hombre 1
MEDINA-NARVAEZ, FABIOLA ESTEFANY Mujer 1
MONDACA-ESPINOZA, F. - 1
TRONCOSO-AHUES, ELIZABETH DEL CARMEN Mujer 1
FORERO-DORIA, OSCAR Hombre 1
VERA, ALEJANDRA Mujer 1
RODRIGUEZ-BECERRA, JORGE Hombre 1
CASSELS-NIVEN, BRUCE KENNEDY Hombre 1
ASTUDILLO, LUIS Hombre 1
VILLAGRAN, JOAO - 1
LIZARRAGA-JURADO, RAQUEL ALEJANDRA Mujer 1
RUIZ-NIETO, SAMUEL Hombre 1
SAN MARTIN-BARRIENTOS, AURELIO DEL CARMEN Hombre 1
QUILAQUEO-GUTIERREZ, MARCELA CRISTINA Mujer 1
ALZATE-MORALES, JANS HUMBERTO - 1
ESPINOZA-CATALAN, LUIS ESPINOZA Hombre 1
MONTES-ROMERO, PAOLA Mujer 1
VENEGAS, RICARDO Hombre 1
VALDES-DE LA BARRA, KAREN LOURDES Mujer 1
CODDOU-ALVAREZ, CLAUDIO EDUARDO Hombre 1
VEGA DE K., JUAN CARLOS Hombre 1
MARDONES L., MIGUEL Hombre 1
LABBE-DONOSO, PAMELA Mujer 1
VERGARA-VALDES, CLAUDIA ELIZABETH Mujer 1
VARGAS-CANTIN, PATRICIO Hombre 1
GAETE-ACUNA, CARMEN Mujer 1
DREYSE-SILVA, PAULINA ANDREA Mujer 1
ZAPATA-TORRES, GERALD Hombre 1
LOYOLA-CANALES, CLAUDIA CRISTINA Mujer 1
PEOPLES, B. C. Hombre 1
ROVIROSA-RODO, JUANA MERCEDES Mujer 1
VASQUEZ-ARANCIBIA, SERGIO OCTAVIO Hombre 1
BARRIGA, A. Hombre 1
HOLMSTROM, E. Hombre 1
SALINAS, S. - 1
BULJAN, ANTONIO Hombre 1
VALDERRAMA-GUERRERO, JUAN LUIS MAURICIO Hombre 1
BARRERA-ALMAZA, MAURICIO Hombre 1
AIZMAN, ARIE Hombre 1
DONOSO-TAUDA, OSCAR. - 1
CONTRERAS-GUAJARDO, DAVID RODRIGO Hombre 1
PESSOA-MAHANA, HERNAN ARMANDO Hombre 1
KLAHN, A. HUGO - 1
LOPEZ-BRIONES, ROSA Mujer 1
CAROLI-REZENDE, MARCOS CAROLI Hombre 1
BLANCO, ELODIE Mujer 1
VILLABLANCA, DANIEL Hombre 1
OLIVARES-PETIT, CARLA Mujer 1
CUBILLOS, MARIELA Mujer 1
ROSSI-FERNANDEZ, ANA C. Mujer 1
MUNOZ, KATHERINE Mujer 1
MONTES ROMERO, PAOLA Mujer 1
TAGLE, R. RAMIREZ - 1
CASSELS, BRUCE K. Hombre 1
BAEZA V, SANDRA Mujer 1
BUSTOS R, CARLA Mujer 1
OVANDO B, PAMELA Mujer 1
RIVERA-ZALDÍVAR, MARÍA MACARENA Mujer 1
GÓMEZ-JERIA, JUAN S. Hombre 1
CASTRO-LATORRE, PABLO Hombre 1
GÓMEZ-JERIA, JUAN S. Hombre 1
SALAZAR, RICHARD Hombre 1
GÓMEZ-JERIA, JUAN S. Hombre 1
CORNEJO-MARTÍNEZ, PATRICIO Hombre 1
ABARCA-MARTÍNEZ, SEBASTIÁN Hombre 1
ORELLANA, ÍTALO - 1
BECERRA-RUIZ, MARTÍN Hombre 1
PEREZ, JOSE MUÑOZ Hombre 1
CABRERA, JEANETTE LLANOS Mujer 1
GO´MEZ-JERIA, JUAN S. Hombre 1
SALGADO-MORÁN, GUILLERMO Hombre 1
GERLI-CANDIA, LORENA Mujer 1
MARTÍNEZ-ARAYA, JORGE IGNACIO Hombre 1
TAPIA, JORGE Hombre 1
BURBOA-SCHETTINO, PIA Mujer 1
ZARATE, XIMENA P. Mujer 1
VALDEBENITO, CRISTIAN Hombre 1
ROMANQUE-ALBORNOZ, CRISTIAN Hombre 1
VALLEJOS, GABRIEL Hombre 1
GONZALEZ, RODRIGO Hombre 1
SHANMUGARAJ, KRISHNAMOORTHY Hombre 1
CUCHILLO, AMERICO Hombre 1
PAZO-CARBALLO, CÉSAR Hombre 1
ECHEVERRIA, CESAR A. Hombre 1
ROMERO, VALENTINA Mujer 1
MUNOZ, PATRICIO Hombre 1
CALDERON, F. A. Hombre 1
MARCHANT, FELIPE Hombre 1
SILVA, JUAN F. Hombre 1
CARDONA VILLADA, WILSON Hombre 1
SANCHEZ, CHRISTIAN Hombre 1
MANZUR, CAROLINA Mujer 1
CARRILLO, DAVID Hombre 1
NUNEZ, V. Hombre 1
CID-MORA, FRANCISCA Mujer 1
MERY, MARIO Hombre 1
VASQUEZ-VELASQUEZ, DAVID Hombre 1
PULIDO, RUTH Mujer 1
MOYA, SERGIO A. Hombre 1
TRETO-SUAREZ, MANUEL Hombre 1
MC PHEE, CHRISTOPHER Hombre 1
CHIMENTÃO, RICARDO J. Hombre 1
UDAYABHASKAR, R. - 1
GARCÍA, KARIEN I. Mujer 1
LLANQUINAO, JESUS Hombre 1
JELDRES, MATÍAS Hombre 1
GODOY, SEBASTIAN Hombre 1
CONTRERAS, RODRIGO A. Hombre 1
DEL VALLE, MARIA ANGELICA Mujer 1
MERINO-GARCIA, JOSE A. Hombre 1
TAPIA, JORGE Hombre 1
BRAVO, JESSICA Mujer 1
GAZZANO, VALERIA Mujer 1
HALABI, ANDRÉS Hombre 1
MILLAS-VARGAS, JUAN PABLO Hombre 1
PACHECO, MONICA Mujer 1
BLANCO-ESPERGUEZ, KEVIN Hombre 1
AMALRAJ, JOHN - 1
VERGARA, CLAUDIA E. - 1
MONROY-CÁRDENAS, MATÍAS - 1
CORTÉS ESTAY, EMILIO A. Hombre 1
VILLAGRA-SOZA, FRANCISCO Hombre 1
REJAS, LILIANA PEDRAJA - 1
SATHEESHKUMAR, RAJENDRAN Hombre 1
MENDIZABAL, FERNANDO Hombre 1
ORELLANA, C. Hombre 1
RUBILAR-HERNÁNDEZ, CARLOS Hombre 1
AMSHUMALI, M. K. - 1
PEÓN-DÍAZ, FRANCISCO J. Hombre 1
ZUNIGA, CAROLINA Mujer 1
GRAND, ANDRE Hombre 1
COLMENARES-ZERPA, JULIO Hombre 1
ZAMBRANO-ANGULO, MICHAEL Hombre 1
KUZNETSOV, ALEKSEY E. E. - 1
GRANADOS-TAVERA, KEVIN Hombre 1
PÉREZ, CATALINA Mujer 1
TAGLE, R. RAMIREZ - 1
AEPURU, RADHAMANOHAR - 1
UL AIN, QURAT - 1
ESTAY, EMILIO. A. CORTES A. Hombre 1
TORO, PATRICIA M. Mujer 1
LAROZE, DAVID - 1
AMALRAJ, JOHN Hombre 1
YANEZ-S, MAURICIO Hombre 1
SILVA, ANDRES Hombre 1
ANDRADES-LAGOS, JUAN Hombre 1
VILLAMAN, DAVID Hombre 1
MUENA, JUAN PABLO Hombre 1
CASTILLO-RODRIGUEZ, JUDITH Mujer 1
GONZALEZ, ALEXIS A. Hombre 1
CAREY, D. MAC-LEOD Hombre 1
MUÑOZ-TORRES, PATRICIO - 1
HERNÁNDEZ-MONTELONGO, JACOBO Hombre 1
SOTO-TAPIA, EMMANUEL - 1
LINARES-PIPÓN, CAMILA - 1
LEIVA, ANDREA Mujer 1
CAMPODÓNICO, PAOLA R. - 1
VIZCAYA, SANBER - 1
MAYA, JUAN D. Hombre 1
CRUZ, CONSTANZA Mujer 1
SOLOAGA ARDILES, CARLOS - 1
ARUMI, JOSE LUIS Hombre 1
SALAZAR-MUNOZ, JAVIER - 1
SOTOMAYOR-JARAMILLO, JAVIER - 1
GONZALEZ-PAVEZ, IVAN Hombre 1
CAMU, ESTEBAN Hombre 1
OSORIO, MANUEL I. Hombre 1
YANEZ, OSVALDO Hombre 1
GARCIA, CARLOS Hombre 1
MELLA, PABLO Hombre 1
BRITO, IVAN Hombre 1
BRAVO, S. - 1
VASQUEZ, NICOLAS - 1
MATHIVANAN, MOORTHY - 1
PINO-RIOS, RICARDO Hombre 1
BARRIGA-GONZALEZ, GERMAN Hombre 1
JADOUN, SAPANA - 1
VALDEBENITO, GONZALO Hombre 1
AGUIRRE, PEDRO - 1
ROA, VANESA Mujer 1
VALENZUELA-HORMAZABAL, PAULINA - 1
HARIBABU, JEBITI - 1
MELLA, ANDY Hombre 1
ROBLES, PEDRO A. Hombre 1
PERALTA, J. Hombre 1
OLGUIN, CAMILA F. Mujer 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: 11.5 % 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 92
Universidad de Chile 77
Pontificia Universidad Católica de Chile 65
Universidad Autónoma de Chile 46
Universidad Técnica Federico Santa María 32
Universidad de Concepción 30
Universidad Bernardo O'Higgins 25
Núcleo Milenio en procesos Catalíticos hacia la química Sustentable 21
Núcleo Milenio de Ingeniería Molecular para Catálisis y Biosensores 16
Universidad Tecnológica Metropolitana 16
Universidad de Santiago de Chile 15
Universidad San Sebastián 14
Universidad Católica de la Santísima Concepción 14
Centro para el Desarrollo de la Nanociencia y la Nanotecnologia 13
Universidad de Talca 10
Universidad de Tarapacá 10
Universidad Austral de Chile 10
Pontificia Universidad Católica de Valparaíso 8
Universidad de Valparaíso 7
Universidad de Playa Ancha 5
Universidad de Atacama 5
Universidad Católica del Norte 5
Universidad de La Frontera 4
Universidad Arturo Prat 4
Universidad Central de Chile 4
Universidad Santo Tomás 3
Instituto Milenio Centro Interdisciplinario de Neurociencia de Valparaíso 3
Universidad Católica de Temuco 3
Universidad de Antofagasta 3
Universidad Finis Terrae 3
Universidad Metropolitana de Ciencias de la Educación 3
ICM 2
Advanced Mining Technology Center 2
Centro de Recursos Hidricos para la Agricultura y la Mineria 2
Centro de Estudios Urbano-Territoriales para la región del Maule 2
Centro Avanzado de Tecnologia para la Mineria 2
Centro para la Investigación Interdisciplinaria Avanzada en Ciencias de los Materiales 2
Univ SEK 2
Univ Tecn Feder St Maria 2
CIMAT 2
Facultad de Medicina 2
Univ Aconcagua 2
Núcleo Milenio Centro Interdisciplinario de Líquidos Iónicos 2
Faculty of Sciences 2
Quim Maipo Ltda 2
Millennium Nucleus Catalyt Proc Sustainable Chem 2
Universidad Internacional SEK 2
Millennium Nucleus Catalyt Proc Sustainable Chem C 2
Universidad Diego Portales 2
Univ Copiapo 1
Center of New Drugs for Hypertension (CENDHY) 1
Fondo Nacional de Ciencia y Tecnología (FONDECYT) 1
Center for Excellence in Precision Medicine Pfizer 1
Universidad de 1
ANID—Millennium Science Initiative Program-Millennium Nuclei on Catalytic Process Towards Sustainable Chemistry (CSC) 1
Núcleo Milenio para el Estudio del Dolor 1
Facultad de Ecología y Recursos Naturales 1
Centro de Química Teórica y Computacional (CQT&C). Facultad de Ciencias Exactas 1
Univ Las Amer 1
Instituto Milenio en Amoníaco Verde como Vector Energético 1
Ingn G Mar LTDA 1
Universidad Pedro de Valdivia 1
Pacific Chemical 1
Universidad de Aconcagua, Chile 1
Ingeniería G-Mar LTDA 1
Univ Autonom Chile 1
ANID Millennium Sci Initiat Program 1
Ctr New Drugs Hypertens CENDHY 1
Nucleo Milenio Proc Catalit Hacia Quim Sustentabl 1
Núcleo Milenio Centro para el Impacto Socioeconómico de las Políticas Ambientales 1
Hospital Clínico Universidad de Chile 1
Complejo Asistencial Barros Luco Trudeau 1
Comision Nacional de Investigacion Cientifica y Tecnologica 1
Universidad del Desarrollo 1
Univ Tecnol Metropolitan 1
Universidad Católica del Maule 1
Instituto Milenio de Oceanografía 1
Universidad de Las Américas, Chile 1
Pontifical Catholic Univ 1
SMAT C 1
Fac Ciencias Exactas 1
Fdn Chile 1
Water Research Center for Agriculture and Mining (CRHIAM) 1
Hospital Barros Luco Trudeau 1
Estn Cent 1
Colegio Nueva Era Siglo XXI 1
Fundación Chile 1
Pacific Chem 1
Ctr Excellence Precis Med Pfizer 1
Unidad de Desarrollo Tecnológico 1
Hosp Barros Luco 1
Millennium Institute on Immunology and Immunotherapy 1
Estación Central 1
SMAT-C 1
Quimica Del Maipo Ltda. 1

Publicaciones


Título Año Citas
Impact of precipitate characteristics and precipitation-conditions on the settling performance of a sulfide precipitation process: An exhaustive characterization of the aggregation behavior 2019 12
Synthesis, structural analysis, spectroscopic characterization and second order hyperpolarizability of 2-amino-4-methylpyridiniium-4-hydroxybenzolate crystal 2019 1
Oxygen vacancies in nano-sized TiO<sub>2</sub> anatase nanoparticles 2019 14
Nature of C<sub>60</sub> and C<sub>70</sub> fullerene encapsulation in a porphyrin- and metalloporphyrin-based cage: Insights from dispersion-corrected density functional theory calculations 2020 16
DFT/MRCI assessment of the excited-state interplay in a coumarin-schiff Mg<SUP>2+</SUP> fluorescent sensor 2020 3
Phthalocyanines core-modified by P and S and their complexes with fullerene C<sub>60</sub>: DFT study 2019 5
CONFOCAL MICROSCOPY STUDIES OF LIVING FUNGAL HYPHAE AND CONIDIA USING RHENIUM (I) TRICARBONYL COMPLEXES AS FLUORESCENT DYES 2019 3
Potential use of an anthocyanin-rich extract from berries of Vaccinium meridionale Swartz as sensitizer for TiO2 thin films – An experimental and theoretical study 2019 11
Interaction of H<sub>2</sub>O with (CuS)<sub>n</sub>, (Cu<sub>2</sub>S)<sub>n</sub>, and (ZnS)<sub>n</sub> small clusters (<i>n</i>=1-4, 6): relation to the aggregation characteristics of metal sulfides at aqueous solutions 2019 8
Interaction of trivalent arsenic on different topologies of Fe-doped graphene nanosheets at water environments: A computational study 2019 17
Tailoring the properties of manganocene: formation of magnetic superalkali/superhalogen 2019 5
Stabilizing heteroatom-centered 16-vertex group 11 tetrahedral architectures: Bonding and structural considerations toward versatile endohedral species 2019 0
Theoretical investigation of the molecular structure, vibrational spectra, and molecular docking of tramadol using density functional theory 2020 9
Insights into the visible light photocatalytic activity of S-doped hydrated TiO<sub>2</sub> 2019 11
Novel fluorescent Schiff bases as Al<SUP>3+</SUP> sensors with high selectivity and sensitivity, and their bioimaging applications 2019 24
Synthesis and Characterization of 5,10,15,20-Tetrakis(4-ethylphenyl)porphyrin and (Zn<SUP>2+</SUP>, Mn<SUP>2+</SUP>, Sn<SUP>2+</SUP>, Ni<SUP>2+</SUP>, Al<SUP>3+</SUP>, V<SUP>3+</SUP>)-Derivatives: Photophysical and DFT study 2019 4
Quantum size effect and visible light activity of anatase nanosheet quantum dots 2019 13
Computational quest of adsorbents based on doped graphene nanosheets for phosgene uptake, and analysis of the co-adsorption phenomena 2019 21
SOLVENT INFLUENCE ON THE STABILITY AND PROPERTIES OF Si4H4 ISOMERS BY COMPUTATIONAL METHODS 2019 7
KINETICS STUDIES ON THE TAUTOMERIC REACTION OF 4-AMINO-5-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE IN THE GAS PHASE: DFT AND CBS-QB3 METHODS USING TRANSITION STATE THEORY 2019 1
Silver(I) and copper(I) complexes with a Schiff base derived from 2-aminofluorene with promising antibacterial activity 2019 13
On the cation- capabilities of small all sp<SUP>2</SUP>-carbon host structures. Evaluation of [6.8]<sub>3</sub>cyclacene from relativistic DFT calculations 2019 4
Unveiling the high reactivity of cyclohexynes in [3+2] cycloaddition reactions through the molecular electron density theory 2019 9
Assessing Parameter Suitability for the Strength Evaluation of Intramolecular Resonance Assisted Hydrogen Bonding in o-Carbonyl Hydroquinones 2019 5
Classical QSAR and Docking Simulation of 4-Pyridone Derivatives for Their Antimalarial Activity 2018 10
Quantum chemical studies of porphyrin- and expanded porphyrin-based systems and their potential applications in nanoscience. <i>Latin America research review</i> 2019 8
Experimental and theoretical structural/spectroscopical correlation of enterobactin and catecholamide 2018 1
A theoretical study of substitutional boron-nitrogen clusters in diamond 2018 2
Effects on the aromatic character of DNA/RNA nucleobases due to its adsorption onto graphene 2018 4
A systematic electronic structure study of the O-O bond dissociation energy of hydrogen peroxide and the electron affinity of the hydroxyl radical 2018 4
Tuning the molecular/electronic structure of new substituted pyrazoles: Synthesis, biological trials, theoretical approaches and Hammett correlations 2018 10
New Properties of a Bioinspired Pyridine Benzimidazole Compound as a Novel Differential Staining Agent for Endoplasmic Reticulum and Golgi Apparatus in Fluorescence Live Cell Imaging 2018 8
The ability of Ex(2)Box(4+) to interact with guests containing -electron-rich and -electron-poor moieties 2018 8
Photocatalytic degradation of methylene blue by the Anderson-type polyoxomolybdates/TiO2 thin films 2018 14
A THEORETICAL QUANTUM STUDY OF THE ELECTRONIC PROPERTIES OF MENTOXY DICHLORO PHOSPHOROUS (C10H19OPCl2) 2018 1
QUANTUM CHEMICAL DESIGNING OF TRIPHENYLAMINE DYES WITH D-A-II-A CONFIGURATION FOR DYE SENSITIZED SOLAR CELLS: MOLECULAR ENGINEERING THROUGH FIRST-PRINCIPLES CALCULATIONS 2018 13
IR and NMR spectroscopic correlation of enterobactin by DFT 2018 9
Computation of global reactivity descriptors and first hyper polarisability as a function of torsional angle of donor-acceptor substituted biphenyl ring system 2018 1
Energy conversion process of substituted phthalocyanines with potential application to DSSC: a theoretical study 2018 8
On the Reaction Mechanism of the 3,4-Dimethoxybenzaldehyde Formation from 1-(3 ',4 '-Dimethoxyphenyl)Propene 2018 1
Hansch's analysis application to chalcone synthesis by Claisen-Schmidt reaction based in DFT methodology 2018 16
1,2,3-Benzotriazole derivatives adsorption on Cu(111) surface: A DFT study 2017 7
The Influence of the Metal Cations and Microhydration on the Reaction Trajectory of the N3 <-> O2 Thymine Proton Transfer: Quantum Mechanical Study 2017 4
A Density Functional Study of the Relationships between Electronic Structure and Dopamine D-2 receptor binding affinity of a series of [4-(4-Carboxamidobutyl)]-1-arylpiperazines 2015 1
A quantum chemical study of the relationships between electronic structure and cloned rat 5-HT2C receptor binding affinity in N-benzylphenethylamines 2015 2
DFT and docking studies of the relationships between electronic structure and 5-HT2A receptor binding affinity in N-benzylphenethylamines 2015 3
Quantum-chemical study of the cytotoxic activity of pyrimidine-benzimidazol hybrids against MCF-7, MGC-803, EC-9706 and SMMC-7721 human cancer cell lines 2015 4
A theoretical study of the relationships between electronic structure and inhibition of tumor necrosis factor by cyclopentenone oximes 2015 4
Tailoring electroactive surfaces by non-template molecular assembly. Towards electrooxidation of L-cysteine 2017 2
Theoretical analysis of C-F bond cleavage mediated by cob[I]alamin-based structures 2017 5
Magnesium sulfate against oxidative damage of membrane lipids: A theoretical model 2017 9
Synthesis, characterization, spectroscopic properties and DFT study of a new pyridazinone family 2017 6
Fingerprinting of strong spermatogenesis steroidal saponins in male flowers of Phoenix dactylifera (Date Palm) by LC-ESI-MS 2017 9
A Study about Regioisomeric Hydroquinones with Multiple Intramolecular Hydrogen Bonding 2017 1
First principle study of V-implantation in highly-doped silicon materials 2017 5
On the formation of smaller p-block endohedral fullerenes: Bonding analysis in the E@C-20 (E=Si, Ge, Sn, Pb) series from relativistic DFT calculations 2017 12
Palmitic acid and hexadecylamine molecules assdsorbed on titania surface in hybrid composites. Effect of surfactants using density functional theory 2017 0
Electrochemical and theoretical characterization of the electro-oxidation of dimethoxycurcumin 2017 5
DFT studies on coordination models for adsorption essays of Cu(II) and Ni(II) solutions in modified silica gel with iminodiacetic groups 2017 5
Structure correlation of silylated dicarboxylic acid monomer and its respective oligomeric polyamide-imide using experimental and theoretical vibrational spectra 2017 3
Adsorption/desorption process of formaldehyde onto iron doped graphene: a theoretical exploration from density functional theory calculations 2017 42
Chromium(III) complexes bearing bis(benzotriazolyl)pyridine ligands: synthesis, characterization and ethylene polymerization behavior 2017 5
Evolution of the structural and electronic properties of small alkali metal-doped aluminum clusters 2017 11
SOLVENT EFFECT ON THE STRUCTURAL, ELECTRONIC, SPECTRA PROPERTIES AND FIRST HYPERPOLARIZABILITY OF W(CO)(5)L, L=(4-PYRIDYLMETHYLENE)MALONONITRILE 2016 20
Dibenzyl disulfide adsorption on Cu(111) surface: a DFT study 2015 4
Calculations of the light absorption spectra of porphyrinoid chromophores for dye-sensitized solar cells 2016 7
Density functional study on Keggin heteropolyanions containing fifth period main group heteroatoms 2016 7
Theoretical study of aromatic-antiaromatic pairs as material in organic solar cells of double light harvesting 2016 3
Protonation Sites, Tandem Mass Spectrometry and Computational Calculations of o-Carbonyl Carbazolequinone Derivatives 2016 1
The characterization of anti-T-cruzi activity relationships between ferrocenyl, cyrhetrenyl complexes and ROS release 2016 8
Pyrimidinylsalicylic Based Herbicides: Modeling and Prediction 2011 0
NEW PHOSPHORUS COMPOUNDS K[PCL3(X)] (X= SCN, CN): PREPARATION AND DFT AND SPECTROSCOPIC STUDIES 2016 2
DFT investigation of the interaction of gold nanoclusters with poly(amidoamine) PAMAM G0 dendrimer 2016 10
Energy losses of slow ions traveling through crystalline solids and scattered on crystalline surfaces 2016 4
Theoretical study of chlordecone and surface groups interaction in an activated carbon model under acidic and neutral conditions 2016 18
Two fluoro compounds of main group elements: Synthesis, characterization, theoretical and spectroscopic study 2015 1
A theoretical quantum study of the intramolecular interactions and chemical reactivity of polymorphs A and B of famotidine in the gas, DMSO, and aqueous phases 2016 4
Study of low band gap DSSCs based on bridging bithiophene and biphenyl: theoretical investigation 2016 1
Hydrogen-induced nanotunnel structure on the C-terminated beta-SiC(001)-c(2 x 2) surface investigated by ab-initio calculations 2015 3
Raman and SERS study of N-acetyl-5-methoxytryptamine, melatonin-The influence of the different molecular fragments on the SERS effect 2015 12
Four-coordinate nickel(II) and copper(II) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study 2015 49
A bonding evolution theory study of the mechanism of [3+2] cycloaddition reactions of nitrones with electron-deficient ethylenes 2015 40
Theoretical study of dibenzyl disulfide adsorption on Cu-7 cluster as a first approximation to sulfur-induced copper corrosion process 2015 10
Morphology directing synthesis of benzo[a]pyrene microstructures and their photo physical properties 2015 17
A comparative study between post-Hartree-Fock methods and density functional theory in closed-shell aurophilic attraction 2015 14
A mechanistic study of the participation of azomethine ylides and carbonyl ylides in [3+2] cycloaddition reactions 2015 22
The substituent effect from the perspective of local hyper-softness. An example applied on normeloxicam, meloxicam and 4-meloxicam: Non-steroidal anti-inflammatory drugs 2015 4
Synthesis, characterization and DFT study of a new family of pyrazole derivatives 2014 10
Novel mono- and heterobimetallic chromium-nickel s-indacene complexes: synthesis, characterization, and DFT studies 2014 7
IMPACT OF GLOBAL AND LOCAL REACTIVITY DESCRIPTORS ON THE HETERO-DIELS-ALDER REACTION OF ENAMINOTHIONE WITH VARIOUS ELECTROPHILES 2014 6
Understanding the thermal [1s,5s] hydrogen shift isomerization of ocimene 2014 5
SYNTHESIS, CHARACTERIZATION AND COMPUTATIONAL STUDIES OF (E)-2-{[(2-AMINOPYRIDIN-3-YL)IMINO]-METHYL}-4,6-DI-TERT-BUTYLPHENOL 2014 14
Intramolecular Hydrogen Bond in Biologically Active o-Carbonyl Hydroquinones 2014 24
Theoretical study of the gas-phase thermolysis of 3-methyl-1,2,4,5-tetroxane 2014 1
Polarizability, hardness and electrophilicity as global descriptors for intramolecular proton transfer reaction path 2014 6
New mono and bimetallic iron complexes derived from partially methylated s-indacene. Evidence of a trinuclear iron s-indacene complex 2014 9
AN EXPERIMENTAL AND THEORETICAL STUDY ON IMIDAZOLIUM-BASED IONIC LIQUID PROMOTED CHLOROMETHYLATION OF AROMATIC HYDROCARBONS 2013 3
EFFECT OF RING IN IMINES AND ENAMINES TAUTOMERISM IN GAS PHASE AND SOLUTION: A COMPUTATIONAL STUDY 2013 3
Role of the main adsorption modes in the interaction of the dye [COOH-TPP-Zn(II)] on a periodic TiO2 slab exposing a rutile (110) surface in a dye-sentized solar cell 2014 12
Theoretical study on the molecular mechanism of the [5+2] vs. [4+2] cyclization mediated by Lewis acid in the quinone system 2013 2
Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111) 2013 22
IR, Raman and SERS spectral analysis and DFT calculations on the Herbicide O,S-Dimethyl phosphoramidothioate, metamidophos 2013 8
Electron density reactivity indexes of the tautomeric/ionization forms of thiamin diphosphate 2013 5
Computational nanochemistry study of the molecular structure and properties of ethambutol 2013 7
Substituents effect on the electronic structure and molecular properties of bis[organohydrazido(2-)] molybdenum(VI) complexes 2013 2
Influence of the monoclinic and tetragonal zirconia phases on the water gas shift reaction. A theoretical study 2013 5
Theoretical description of the magnetic properties of mu(3)-hydroxo bridged trinuclear copper(II) complexes 2013 2
Topological analysis of tetraphosphorus oxides (P4O6+n (n=0-4)) 2013 4
Molecular properties of two related families of substituted [Ru(2,2 ':6 ',2 ''-Terpyridine)(2)](2+) for application as sensitizers in dye-sensitized solar cells 2013 3
Novel titanocene derived from a partially alkylated s-indacene: Synthesis, characterization and comparative study with its zirconium analog 2013 1
Magnetic properties of vanadium(IV)-based extended systems: [(VO)(3)(mu-PO4)(2)(2,2 '-bpy)(mu-OH2)]center dot 1/3H(2)O and (VO)(2)H4P2O9 2013 3
Why Do Five-Membered Heterocyclic Compounds Sometimes Not Participate in Polar Diels-Alder Reactions? 2013 43
Effects of the peripheral substituents (-NH2, -OH, -CH3, -H, -C6H5, -Cl, -CO2H and -NO2) on molecular properties of a Ni-Porphyrazine dimers family 2013 5
Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions 2013 479
SYNTHESIS, EXPERIMENTAL AND DFT STUDIES ON THE CRYSTAL STRUCTURE, FTIR, H-1 NMR AND C-13 NMR SPECTRA OF DRIVATIVES OF DIHYDROPYRIDINES 2012 10
A new heterobimetallic manganese-rhodium carbonyl complex derived from partially alkylated s-indacene 2013 11
On the Catalytic Effect of Water in the Intramolecular Diels-Alder Reaction of Quinone Systems: A Theoretical Study 2012 14
One dimensional inorganic oxovanadium polymers functionalized with manganese(II) complexes: Structural and magnetic characterization 2012 5
A new method to radical anions derived from s-Indacene organobimetallic complexes, their ESR characterization 2012 1
Computer-assisted study on the reaction between pyruvate and ylide in the pathway leading to lactyl-ThDP 2012 7
Oxygenation of the phenylhalocarbenes. Are they spin-allowed or spin-forbidden reactions? 2012 1
The Woodward-Hoffmann Rules Reinterpreted by Conceptual Density Functional Theory 2012 111
Photophysical properties of [Cu(binap)(2)](+) and [Pd(binap)(2)] complexes: A theoretical study 2012 10
Electronic structure and molecular properties of paramagnetic hexanuclear Tantalum [Ta6X12Y6](3-) (X and Y = F, Cl, Br, I) cluster compounds 2012 2
A THEORETICAL STUDY OF THE NITRATION OF EUGENOL WITH THE NITRONIUM ION 2011 0
Oxidation Potential of Thiophene Oligomers: Theoretical and Experimental Approach 2011 30
Density-functional study on the equilibria in the ThDP activation 2011 6
A DFT/TDDFT Study of Porphyrazines and Phthalocyanine Oxo-Titanium Derivatives as Potential Dyes in Solar Cells 2011 16
Biotransformation of Stypotriol triacetate by Aspergillus niger 2011 3
Study of the Orbital Hardness and the Kohn-Sham Radius on Single Monoatomic Anions 2011 3
NMR assignment in regioisomeric hydroquinones 2011 13
Theoretical study of conformational aspects, excited states and directional energy transfer: The Terphenylene, Diphenylhexatriene and Quinquethiophene triad included in PHTP nanochannels 2011 0
Structural characterization of amorphous alumina and its polymorphs from first-principles XPS and NMR calculations 2011 84
Theoretical EPR study of Nitroindazoles: 3-Alkoxy, 3-Hydroxy and 3-Oxo Derivatives 2010 2
Regioselectivity of Radical Additions to Substituted Alkenes: Insight from Conceptual Density Functional Theory 2010 15
Theoretical calculation of partition coefficients of dimethoxypyrimidinylsalicylic acids 2010 7
Atomistic study of vibrational properties of gamma-Al2O3 2010 18
Influence of 8-aminoquinoline on the corrosion behaviour of copper in 0.1 M NaCl 2010 12
Surface-enhanced Raman scattering and density functional theory studies of bis(4-aminophenyl)sulfone 2010 10
[Cp*Ru(s-indacene)RuCp*] and [Cp*Ru(s-indacene)RuCp*](+): Experimental and theoretical findings concerning the electronic structure of neutral and mixed valence organometallic systems 2010 16
Theoretical characterization of SOME amides and esters DERIVATIVES of valproic acid 2010 1
An Analysis of the Regioselectivity of 1,3-Dipolar Cycloaddition Reactions of Benzonitrile N-Oxides Based on Global and Local Electrophilicity and Nucleophilicity Indices 2009 72
SYNTHESIS, CHARACTERIZATION OF A NEW CARBONYLATED ZIRCONIUM METALLOCENE USING A DICHLORO-ZIRCONOCENE DERIVED FROM PARTIALLY ALKYLATED S-INDACENE 2009 3
Experimental and theoretical Raman and surface-enhanced Raman scattering study of cysteine 2009 73
Further relationships between theoretical and experimental models of electrophilicity and nucleophilicity 2009 30
IMPROPER HYDROGEN BONDS - A THEORETICAL STUDY ABOUT THE MOLECULAR STRUCTURE OF INTERMOLECULAR SYSTEMS FORMED BY H3C-H+Delta center dot center dot center dot X AND H3C+Delta center dot center dot center dot H-Y WITH X = CL- OR F- AND Y = CL OR F 2009 6
A comparison between theoretical and experimental models of electrophilicity and nucleophilicity 2009 53
The impact of Cu atoms on the reactivity of ZrO2 oligomers 2009 3
Structural Antitumoral Activity Relationships of Synthetic Chalcones 2009 104
Chemical reactivity of oxygen vacancies on the MgO surface: Reactions with CO2, NO2 and metals 2008 59
Theoretical study of the molecular polarizability on triafulvene and analogue. 2000 1
NMR and DFT study on the prototropic tautomerism of 3-methyl-5-pyrazolone 2000 9
Relationship between electronic structures and antiplasmodial activities of xanthone derivatives: a 2D-QSAR approach 2019 2
DFT and single crystal analysis of the pyrimethamine-based novel co-crystal salt: 2,4-diamino-5-(4-chloro-phenyl)-6-ethylpyrimidin-1-ium:4-hydroxybenzoate:methanol:hydrate (1:1:1:1) (DEHMH) 2020 46
Structural and electronic properties of (TiO<sub>2</sub>)<sub>10</sub> clusters with impurities: A density functional theory investigation 2019 4
TiO<sub>2</sub> thin films sensitization with natural dyes extracted from <i>Bactris guineensis</i> for photocatalytic applications: Experimental and DFT study 2020 16
ELECTROCHEMICAL, ESR, THEORETICAL STUDIES AND in vitro ANTI-T. cruzi ACTIVITY OF 2-ORGANOMETALLIC-5-NITRO-BENZIMIDAZOLES 2020 1
Computational models of (001) faceted anatase TiO<sub>2</sub> nanoparticles 2020 3
Spectroscopic and DFT/TDDFT insights of the novel phosphonate imine compounds 2020 12
On the nature of the interaction of copper hydride and halide with substituted ethylene and acetylene 2020 2
Theoretical study of glycine amino acid adsorption on graphene oxide 2020 8
On the physical-chemical nature of solvent polarizability and dipolarity 2020 9
Electron-donor substituents on the dppz-based ligands to control luminescence from dark to bright emissive state in Ir(III) complexes 2020 6
Caracterización computacional de ligandos orgánicos derivados de ácido fumárico para la adsorción selectiva de mercurio inorgánico 2020 0
CATHODIC BEHAVIOR OF 2,3-DIHYDROOXOISOAPORPHINES COMPORTAMIENTO CATÓDICO DE 2,3-DIHIDRO-OXOISOAPORFINAS 2003 0
Afasia logopénica: presentación de un caso y revisión de la literatura 2012 0
ESTUDIO TEORICO DE LA POLARIZABILIDAD MOLECULAR EN TRIAFULVENO Y COMPUESTOS ANALOGOS 2000 0
Theoretical assessment of antioxidant property of polyproponoid and its derivatives 2020 3
Acceptor tuning effect on TPA-based organic efficient sensitizers for optoelectronic applications-quantum chemical investigation 2020 10
Phthalocyanines core-modified by P and S and their complexes with fullerene C60: DFT study 2019 0
PyProcar: A Python library for electronic structure pre/post-processing 2020 118
Quantum chemical designing of triphenylamine dyes with D-A-π-A configuration for dye sensitized solar cells: Molecular engineering through first-principles calculations 2018 0
Quantum chemical analysis of the relationships between electronic structure and antiviral activity against HIV-1 of some pyrazine-1,3-thiazine hybrid analogues 2016 0
A quantum-chemical study of the relationships between electronic structure and trypanocidal activity against trypanosoma brucei brucei of a series of thiosemicarbazone derivatives 2016 0
A DFT study of the inhibition of FMS-like tyrosine kinase 3 and the antiproliferative activity against MV4-11 cells by N-(5-(tert-butyl)isoxazol-3- yl)-N'-phenylurea analogs 2016 0
A note on the inhibition of steroid 11β-hydroxylase, aldosterone synthase and aromatase by a series of coumarin derivatives 2016 0
A quantum chemical study of the inhibition of a-glucosidase by a group of oxadiazole benzohydrazone derivatives 2016 0
A DFT study of the inhibition of human phosphodiesterases PDE3A and PDE3B by a group of 2-(4-(1H-tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(4-phenyl)thiazole derivatives 2016 0
A theoretical approach to the cytotoxicity of a series of β-carbolinedithiocarbamate derivatives against prostatic cancer (DU-145), breast cancer (MCF-7), human lung adenocarcinoma (A549) and cervical cancer (HeLa) cell lines 2016 0
A theoretical analysis of the inhibition of the VEGFR-2 vascular endothelial growth factor and the anti-proliferative activity against the HepG2 hepatocellular carcinoma cell line by a series of 1-(4-((2-oxoindolin-3-ylidene)amino)phenyl)-3-arylureas 2016 0
An exploratory quantum-chemical study of the anti-HIV-1 IIIB activity of a series of etravirine-VRX-480773 hybrids 2015 0
A density functional study of the relationships between electronic structure and dopamine D2 receptor binding affinity of a series of [4-(4-Carboxamidobutyl)]-1-arylpiperazines 2015 0
A theoretical analysis of the relationships between electronic structure and hiv-1 integrase inhibition and antiviral activity of a series of naphthyridinone derivatives 2015 0
Electronic structure and docking studies of the Dopamine D3 receptor binding affinity of a series of [4-(4-Carboxamidobutyl)]-1-arylpiperazines 2015 0
A DFT and Docking study of the relationships between electronic structure and 5-HT2B receptor binding affinity in N-benzylphenethylamines 2015 0
A density functional study of the inhibition of microsomal prostaglandin E2 Synthase-1 by 2-aryl substituted quinazolin-4(3H)-one, pyrido[4,3-d] pyrimidin-4(3H)-one and pyrido[2,3-d]pyrimidin-4(3H)-one derivatives 2015 0
A DFT study of the inhibition of the papain-like protease (PLpro) from the SARS coronavirus by a group of 4-piperidinecarboxamide derivatives 2014 0
Oxicams: Computational thermochemical parameters and solubility 2013 0
Cathodic behavior of 2,3-dihydrooxoisoaporphines comportamiento catódico de 2,3-dihidro-oxoisoaporfinas 2003 0
Computation of electrical responsive properties and global reactivity descriptors along the proton transfer co-ordinate of donor-acceptor substituted pyrazole derivatives 2021 0
THEORETICAL INVESTIGATION OF THE MOLECULAR STRUCTURE AND MOLECULAR DOCKING OF ETORICOXIB 2020 0
Design, characterization and quantum chemical computations of a novel series of pyrazoles derivatives with potential anti-proinflammatory response 2020 3
A QUANTUM CHEMICAL STUDY OF SMALL MOLECULES USED AS ACTIVE LAYER COMPONENT OF ORGANIC SOLAR CELLS 2020 0
Unique magnetic shielding and bonding in Pnicogen nortricyclane Zintl clusters 2020 5
Strain-induced phase transition in CrI<sub>3</sub> bilayers 2020 40
Doped deltahedral organo-Zintl superalkali cations 2020 3
Hexabenzocoronene functionalized with porphyrin and P-core-modified porphyrin: A comparative computational study 2020 2
Structural, electronic and catalytic properties of bimetallic Pt<i><sub>n</sub></i>Ag<i><sub>n</sub></i> (<i>n</i>=1-7) clusters 2020 12
EFFICIENT SYNTHESIS OF NOVEL TRICYCLIC BENZOXAZINE DERIVATIVE VIA RING OPENING OF EPOXIDE ALONG THE MP AND DFT STUDIES OF STRUCTURAL, SPECTROSCOPIC (IR, RAMAN, UV-VIS), THERMODYNAMIC, ORBITALS AND NLO PROPERTIES OF DESIRED TRICYCLIC BENZOXAZINE DERIVATIVE 2020 0
Lithium Cation-Catalyzed Benzene Diels-Alder Reaction: Insights on the Molecular Mechanism Within the Molecular Electron Density Theory 2020 10
EFFICIENT SYNTHESIS OF NOVEL TRICYCLIC BENZOXAZINE DERIVATIVE VIA RING OPENING OF EPDXIDE ALONG THE MP AND DFT STUDIES OF STRUCTURAL, SPECTROSCOPIC (IR, RAMAN, UV-VIS), THERMODYNAMIC, ORBITALS AND NLO PROPERTIES OF DESIRED TRICYCLIC BENZOXAZINE DERIVATIVE 2020 0
The usefulness of energy decomposition schemes to rationalize host-guest interactions 2020 9
D-π-A dye attached on TiO<sub>2</sub> (101) and TiO<sub>2</sub> (001) surfaces: Electron transfer properties from <i>ab initio</i> calculations 2021 9
DFT and single-crystal investigation of the pyrimethamine-based novel co-crystal salt: 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium-4-methylbenzoate hydrate (1:1:1) (DEMH) 2021 35
Theoretical determination of a reaction intermediate: Fukui function analysis, dual reactivity descriptor and activation energy 2021 23
The adsorption of furfural on SrTiO<sub>3</sub> and SrCo<sub>x</sub>Ti<sub>1-x</sub>O<sub>3</sub> perovskites: A DFT study within the molecular cluster approach 2021 7
Understanding the flocculation mechanism of quartz and kaolinite with polyacrylamide in seawater: A molecular dynamics approach 2021 28
Persistent prevalence of supramolecular architectures of novel ultrasonically synthesized hydrazones due to hydrogen bonding [X-H•••O; X=N]: Experimental and density functional theory analyses 2021 42
Drifts studies of acrylonitrile adsorption on Pd/SiO2 and PdSn/SiO2. 2004 1
Water Molecules Allow the Intramolecular Activation of the Thiamine Di-Phosphate Cofactor in Human Transketolase: Mechanistic Insights into a Famous Proposal 2021 4
<i>exo</i>- and <i>endo</i>-Complexes of Fe(0) with Carbon Allotropic Modifications on the Example of Fullerene C<sub>60</sub>: a Density Function Theory Study 2021 1
Links among the Fukui potential, the alchemical hardness and the local hardness of an atom in a molecule 2021 7
Photodynamic effect of 5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin and (Zn<SUP>2+</SUP> and Sn<SUP>4+</SUP>) derivatives against <i>Leishmania</i> spp in the promastigote stage: experimental and DFT study 2021 5
First-principles study of hybrid nanostructures formed by deposited phthalocyanine/porphyrin metal complexes on phosphorene 2021 7
2-Mercaptobenzothiazole modified carbon paste electrode as a novel copper sensor: An electrochemical and computational study 2021 14
Facile Synthesis, Spectral (IR, Mass, UV-Vis, NMR), Linear and Nonlinear Investigation of the Novel Phosphonate Compounds: A Combined Experimental and Simulation Study 2020 23
Experimental and DFT study of natural curcumin derived dyes as n-type sensitizers 2021 4
A stable nanosilver decorated phosphorene nanozyme with phosphorus- doped porous carbon microsphere for intelligent sensing of 8-hydroxy-20-deoxyguanosine 2021 5
Exploration of the Activation Mechanism of the Epigenetic Regulator MLL3: A QM/MM Study 2021 2
Combinatorial library design and virtual screening of cryptolepine derivatives against topoisomerase IIA by molecular docking and DFT studies 2021 0
Structure and electronic properties of benzimidazole and cycloheptaimidazole gold <i>N</i>-heterocyclic carbenes 2021 2
Theobroma cacao L. compounds: Theoretical study and molecular modeling as inhibitors of main SARS-CoV-2 protease 2021 12
Synthesis, single-crystal exploration, and theoretical insights of arylsulfonylated 2-amino-6-methylpyrimidin derivatives 2021 15
The optoelectronic properties of Eu/F-codoped tin oxide, an experimental and DFT study 2021 1
Selective copper determination using a sensor based on a vinylferrocene moiety: A theoretical study 2021 1
The case of [(bpm)Re(CO)<sub>3</sub>Br] and <i>anti</i>-[Br(CO)<sub>3</sub>Re(μ-bpm)Re(CO)<sub>3</sub>Br] (bpm: 2,2′-bipyrimidine) towards multi-metallic Re<SUP>I</SUP> species and their properties 2021 1
The catalytic effects of a thiazolium salt in the oxa-Diels-Alder reaction between benzaldehyde and Danishefsky's diene: a molecular electron density theory study 2021 0
A COMPUTATIONAL STUDY OF STEVIOL AND ITS SUGGESTED ANTICANCER ACTIVITY. A DFT AND DOCKING STUDY 2021 0
Strain Effects on the Electronic and Optical Properties of Kesterite Cu<sub>2</sub>ZnGeX<sub>4</sub> (X = S, Se): First-Principles Study 2021 8
Adsorption of Phosphate Ions on the Basal and Edge Surfaces of Kaolinite in Low Salt Aqueous Solutions Using Molecular Dynamics Simulations 2021 9
ANTI-OXIDANT AND ANTI-INFLAMMATORY POTENTIAL OF SECONDARY METABOLITES FROM Daphne mucronata ROYLE AND THEIR FIRST-PRINCIPLES INVESTIGATIONS 2021 0
A molecular electron density theory study of the higher-order cycloaddition reactions of tropone with electron-rich ethylenes. The role of the Lewis acid catalyst in the mechanism and <i>pseudocyclic</i> selectivity 2021 4
Structural Evolution and Electronic Properties of Intermediate Sized Ti<i><sub>n</sub></i> (n=33-60) Clusters 2021 0
Conversion of glycerol to hydroxyacetone over SrTiO3-type perovskite: A DFT study 2021 2
An Experimental and Theoretical Study of Dye Properties of Thiophenyl Derivatives of 2-Hydroxy-1,4-naphthoquinone (Lawsone) 2021 1
Theoretical Insight on Structural Activities and Targets of Kaempferol Glycosides 2021 0
Theoretical Insight on Structural Activities and Targets of Kaempferol Glycosides 2021 0
Photophysical characterization and in vitro anti-leishmanial effect of 5,10,15,20-tetrakis(4-fluorophenyl) porphyrin and the metal (Zn(II), Sn(IV), Mn(III) and V(IV)) derivatives 2022 3
On the Aromaticity and <SUP>13</SUP>C-NMR Pattern of Pentagonal-Pyramidal Hexamethylbenzene Dication [C<sub>6</sub>(CH<sub>3</sub>)<sub>6</sub>]<SUP>2+</SUP>: A {C<sub>5</sub>(CH<sub>3</sub>)<sub>5</sub>}<SUP>-</SUP>-{CCH<sub>3</sub>}<SUP>3+</SUP> Aggregate 2021 1
Ab initio study on electronic and optical properties of Cu<sub>2</sub>NiGeS<sub>4</sub> for photovoltaic applications 2022 6
Quantum chemistry study in metallophilic interactions on complexes based in Au(I)-Pb(II) and Au(I)-Bi(III) 2022 0
The free electron model and the electronic energy losses of protons at low velocities interacting with polycrystalline tantalum 2022 2
Effects of Temperature on Enantiomerization Energy and Distribution of Isomers in the Chiral Cu<sub>13</sub> Cluster 2021 4
Relative Populations and IR Spectra of Cu<sub>38</sub> Cluster at Finite Temperature Based on DFT and Statistical Thermodynamics Calculations 2022 3
Fe<sub>3</sub>O<sub>4</sub> Templated Pyrolyzed Fe-N-C Catalysts. Understanding the role of N-Functions and Fe<sub>3</sub>C on the ORR Activity and Mechanism 2022 9
Pyrazolon-ditiocarbonic acid and dibromoalcanes - cyclic keto-ditioacetals formation vs. open chain products: A theoretical study 2022 0
Physicochemical and Theoretical Characterization of a New Small Non-Metal Schiff Base with a Differential Antimicrobial Effect against Gram-Positive Bacteria 2022 2
Reactive molecular dynamics and DFT simulations of FTDO explosive 2022 4
A novel series of pyrazole derivatives toward biological applications: experimental and conceptual DFT characterization 2022 1
Machine learning predictive classification models for the carcinogenic activity of activated metabolites derived from aromatic amines and nitroaromatics 2022 2
Assessment of chalcone-vanillin as a selective chemosensor of As(III) in aqueous solution 2022 1
Host-guest binding selectivity of ethylated pillar[5]arene (EtP5A) towards octane, 1,7-octadiene, and 1,7-octadiyne: a computational investigation 2023 1
Structure and electronic properties of the HA-CUR conjugate: An insight from the DFT perspective 2022 1
Tuning the visible-NIR absorption of azulenocyanine-based photosensitizers 2022 0
Phonon Structure, Infra-Red and Raman Spectra of Li<sub>2</sub>MnO<sub>3</sub> by First-Principles Calculations 2022 2
Resveratrol-Schiff Base Hybrid Compounds with Selective Antibacterial Activity: Synthesis, Biological Activity, and Computational Study 2022 0
Nanoscale MXene Interlayer and Substrate Adhesion for Lubrication: A Density Functional Theory Study 2022 9
Study of the Electrochemical Behavior of N-Substituted-4-Piperidones Curcumin Analogs: A Combined Experimental and Theoretical Approach 2022 0
Intramolecular Hydrogen Bond in Pyridine Schiff Bases as Ancillary Ligands of Re(I) Complexes Is a Switcher between Visible and NIR Emissions: A Relativistic Quantum Chemistry Study 2022 0
Effects of Site Geometry and Local Composition on Hydrogenation of Surface Carbon to Methane on Ni, Co, and NiCo Catalysts 2022 0
Ab Initio Study of Carrier Mobility, Thermodynamic and Thermoelectric Properties of Kesterite Cu2ZnGeS4 2022 0
MODIFIED D-GLUCOFURANOSE COMPUTATIONALLY SCREENING FOR INHIBITOR OF BREAST CANCER AND TRIPLE BREAST CANCER: CHEMICAL DESCRIPTOR, MOLECULAR DOCKING, MOLECULAR DYNAMICS AND QSAR 2022 4
Molecular Dynamics Simulation, QSAR, DFT, Molecular Docking, ADMET, and Synthesis of Ethyl 3-((5-Bromopyridin-2-yl)Imino)Butanoate Analogues as Potential Inhibitors of SARS-CoV-2 2023 6
Understanding lead and mercury adsorption by post-synthetically modified linkers in UiO-66 MOF. A computational theoretical study 2023 0
Structure effects of Pt<sub>15</sub> clusters for the oxygen reduction reaction: first-principles calculations 2023 1
Electronic and magnetic properties of stacked graphene quantum dots 2023 0
Computational design and properties elucidation of new (FAPbI3)1,x- y(MAPbBr3)y(CsPbBr3)x photoactive systems for their application in perovskite solar cells 2023 1
Synthesis, structural and theoretical investigations on 3-diethyl 2-({4-[3-ethoxy-2-(ethoxycarbonyl)-3-oxo-2-pheny lpropyl]-2,5-dimethylphenyl}methyl)-2-phenylpropanedioate 2023 0
Aromaticity in P<sub>8</sub> allotropes and (CH)<sub>8</sub> analogues: significance of their 40 valence electrons?† 2023 0
The study of the PES and the reaction mechanism between ketene and Lithium Carbenoids and the formation of cyclopropanone 2023 0
Computational design of the novel building blocks for the metal-organic frameworks based on the organic ligand protected Cu4cluster 2024 0
Metal clusters/modified graphene composites with enhanced CO adsorption: a density functional theory approach 2023 1
Mechanical, tribological and electrochemical behavior of Zr-based ceramic thin films for dental implants 2023 0
Structural and photoelectrochemical dynamics of in-situ hydrogenated anatase TiO2 thin films grown by DC reactive magnetron sputtering 2023 0
Structure and Electronic Properties of Metalloboranes with General Formula Cp-3(mu-H)M3B8H8 (M=Cr, Mo and W): The Effect of the Size of the Metal 2022 0
Study of the Electrochemical Behavior of N-Substituted-4-Piperidones Curcumin Analogs: A Combined Experimental and Theoretical Approach 2022 0
Ab Initio Study of Carrier Mobility, Thermodynamic and Thermoelectric Properties of Kesterite Cu2ZnGeS4 2022 1
Synthesis, Structural, and Intriguing Electronic Properties of Symmetrical Bis-Aryl-alpha,beta-Unsaturated Ketone Derivatives 2022 7
Ammonia free catalytic reduction of nitric oxide on Ni-embedded graphene nanostructure: A density functional theory investigation 2023 0
Synthesis and characterization of <i>N</i><SUP>4</SUP>-substituted thiosemicarbazones: DNA/BSA binding, molecular docking, anticancer activity, ADME study and computational investigations 2023 2
Computational pharmacology and computational chemistry of 4-hydroxyisoleucine: Physicochemical, pharmacokinetic, and DFT-based approaches 2023 0
Theoretical and Experimental Study for Cross-Coupling Aldol Condensation over Mono- and Bimetallic UiO-66 Nanocatalysts 2023 0
Effect of vacancies and edges in promoting water chemisorption on titanium-based MXenes 2023 0
Theoretical and Anti-<i>Klebsiella pneumoniae</i> Evaluations of Substituted 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide and Imidazopyridine Hydrazide Derivatives 2023 2
MECHANISTIC STUDY OF A RUTHENIUM HYDRIDE COMPLEX OF TYPE [RuH(CO)(N-N)(PR3)(2)](+) AS CATALYST PRECURSOR FOR THE HYDROFORMYLATION REACTION OF 1-HEXENE 2016 0
TUNING THE ELECTRONIC, PHOTOPHYSICAL AND CHARGE TRANSFER PROPERTIES OF SMALL D-A MOLECULES BASED ON THIENOPYRAZINE-TERTHIENYLS BY CHANGING THE DONOR FRAGMENT: A DFT STUDY 2017 1
First-principles based Monte Carlo modeling of the magnetization of oxygen-deficient Fe-substituted SrTiO<sub>3</sub> 2023 0
Structure and stability of Cu-doped Bn (n=1-12) clusters: DFT calculations 2023 0
THEORETICAL STUDY OF THE BONDING BETWEEN ALGINATE AND GRAPHENE OXIDE THROUGH THE INTERACTION OF ITS CARBOXYLIC GROUPS WITH THE DIVALENT METALS CU<SUP>2+</SUP>, CO<SUP>2+</SUP>, ZN<SUP>2+</SUP>, AND MN<SUP>2+</SUP> 2023 0
Convoluted Magnetoresistance and Magnetic Reversal Processes in Ni-Fe Segmented Cylindrical Nanodots with Tunable Size and Composition for Technological Applications 2023 0
Band edges positions prediction of the of Ag nanocluster-decorated titania surfaces and their relationship to NO and NO2 interaction from first-principles calculations 2023 0
Photophysical characterization of tetrahydroxyphenyl porphyrin Zn(II) and V(IV) complexes: experimental and DFT study 2023 0
MONKEYPOX DISEASE TREATMENT BY TECOVIRIMAT ADSORBED ONTO SINGLE-WALLED CARBON NANOTUBE THROUGH DRUG DELIVERY METHOD 2023 0
Structure and stability of Mo-doped Cun (n=1-12) clusters: DFT calculations 2023 0
THEORETICAL STUDY OF THE BONDING BETWEEN ALGINATE AND GRAPHENE OXIDE THROUGH THE INTERACTION OF ITS CARBOXYLIC GROUPS WITH THE DIVALENT METALS Cu2+, Co2+, Zn2+, AND Mn2+ 2023 0
First Principle Study on the Effect of Strain on the Electronic Structure and Carrier Mobility of the Janus MoSTe and WSTe Monolayers 2023 0
Chitosan/hybrid ceria supported nickel nanoparticles: Study of magnetic and optical properties, photodegradation of rhodamine B, and antimicrobial activity, with DFT 2023 0
Enhanced Method for the Synthesis and Comprehensive Characterization of 1-(4-Phenylquinolin-2-yl)propan-1-one 2023 0
Design of β-Keto Esters with Antibacterial Activity: Synthesis, In Vitro Evaluation, and Theoretical Assessment of Their Reactivity and Quorum-Sensing Inhibition Capacity 2023 0
Reliable and accurate prediction of basic pK a values in nitrogen compounds: the pK a shift in supramolecular systems as a case study 2023 0
V<sub>2</sub>C-based lithium batteries: The influence of magnetic phase and Hubbard interaction 2023 1
Cu@Ag-CeO2/Chitosan Nanocomposite: Green Catalyst for Synthesis of 4-Arylidene-isoxazolidinones and Amidoalkyl Naphthols with Density Functional Theory and Antimicrobial Studies 2024 0
Host-guest interactions of coumarin-based 1,2-pyrazole using analytical and computational methods: Paper strip-based detection, live cell imaging, logic gates and keypad lock applications 2024 0
Synthesis and theoretical study of a new family of pyrazole derivative 2024 0
Theoretical and experimental investigations on 5,12-di(methyl)-quinacridin-ylidene)-7,14-di(rhodanineimine) for optoelectronic applications 2024 0
Comparing the performance of WO3 nanoparticles and nanofibers: Photocatalytic dye degradation versus photoelectrochemical water oxidation 2024 0
Aromaticity of six-membered nitro energetic compounds through molecular electrostatic potential, magnetic, electronic delocalization and reactivity-based indices 2024 0
Gas sensing characteristics of two-dimensional palladium-based penta-materials 2024 0
Expanding PyProcar for new features, maintainability, and reliability 2024 0
Versatile aggregation induced emissive molecular probes incorporating different donor/acceptor groups for tunable multiple color fluorescence 2024 0
Structures of Ni-doped Bn (n = 1–13) clusters: A computational study 2024 0
Furfural adsorption on V2O5 surface: A combined experimental-theoretical study 2024 0
Tuning C-N Ullmann coupling with anion-exchanged ionic liquid-functionalized nanoparticle catalysts 2024 0
Copper-mediated cyclization of thiosemicarbazones leading to 1,3,4-thiadiazoles: Structural elucidation, DFT calculations, in vitro biological evaluation and in silico evaluation studies 2024 0
Synthesis of chromone-based thiosemicarbazone as selective chemosensor for cyanide ion and its DFT calculation studies 2023 0
Hydrogen storage properties for bimetallic doped boron clusters M2B7 (M=Fe, Co, Ni) 2024 0
Identification of new triazolo annulated dipyridodiazepine derivatives as HIV-1 reverse transcriptase inhibitors: Design, synthesis, DFT, molecular modelling and in silico studies 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.

Descargar Descarga los datos de esta página (formato JSON).
Descargar Descarga los datos de esta página como un archivo Excel.









Departamento Gestión de Conocimiento, Monitoreo y Prospección
 Moneda 1375, Santiago de Chile. Teléfono (56 2) 2365 4400
Consultas o comentarios: productividad@anid.cl