Man

Sebastián Esteban Miranda Rojas

Profesor Asistente

UNIVERSIDAD NACIONAL ANDRES BELLO

Santiago, Chile

Líneas de Investigación


Biofísica; Fisicoquí­mica Molecular; Catálisis; Quimica Teórica y Computacional; Mecanismos de Reacción

Educación

  •  PhD in Chemistry, UNIVERSIDAD DE CHILE. Chile, 2012
  •  Pharmaceutical Chemist, UNIVERSIDAD DE CHILE. Chile, 2009

Experiencia Académica

  •   Profesor Asistente Full Time

    UNIVERSIDAD ANDRES BELLO

    Ciencias Exactas

    Santiago, Chile

    2014 - A la fecha

Experiencia Profesional

  •   PROFESOR ASISTENTE Full Time

    UNIVERSIDAD ANDRES BELLO

    SANTIAGO, Chile

    2014 - A la fecha

Formación de Capital Humano


Dirección tesis de pregrado (en desarrollo) titulada:
"Cálculos híbridos MC/MM del mecanismo de regulación de la actividad de la enzima MLL3"


Difusión y Transferencia


No existen actividades a la fecha.


Premios y Distinciones

  •   Sebastin Esteban Miranda Rojas

    FONDECYT

    Chile, 2007

    Beca CONICYT de Apoyo para la Realización de Tesis Doctoral


 

Article (24)

Quantum chemistry simulation of the electronic properties in [Au(NH3)(2)]NO3 and [Au(NCH)(2)][AuCl4] extended unsupported complexes

Mendizabal F.; Miranda-Rojas S.; Castro-Latorre P.

Article ISI SCOPUS
MOLECULAR SIMULATION  (2020)

Theoretical exploration of the forces governing the interaction between gold-phthalocyanine and gold surface clusters

Castro-Latorre P.; Miranda-Rojas S.; Mendizabal F.

Article ISI SCOPUS
RSC Advances  (2020)

Catalytic activity of iron phthalocyanine for the oxidation of thiocyanate and L-cysteine anchored on Au(111) clusters

Castro-Latorre, Pablo; Miranda-Rojas, Sebastian; Barrientos, Lorena; Mendizabal, Fernando

Article ISI SCOPUS
MOLECULAR SIMULATION  (2019)

Experimental and theoretical insights into the electrooxidation pathway of azo-colorants on glassy carbon electrode

Sierra-Rosales, P; Berrios, C; Miranda-Rojas, S; Squella, JA

Article ISI SCOPUS
ELECTROCHIMICA ACTA  (2018)

Unraveling the Nature of the Catalytic Power of Fluoroacetate Dehalogenase

Miranda-Rojas, S; Fernandez I.; Kastner, J; Toro-Labbe, A.; Mendizabal, F

Article ISI SCOPUS
CHEMCATCHEM  (2018)

Adsorption/desorption process of formaldehyde onto iron doped graphene: a theoretical exploration from density functional theory calculations

Cortés-Arriagada, Diego; Villegas-Escobar, Nery; Miranda-Rojas, Sebastián; Toro-Labbé, Alejandro

Article ISI SCOPUS
PHYSICAL CHEMISTRY CHEMICAL PHYSICS  (2017)

Oxidized and Si-doped graphene: emerging adsorbents for removal of dioxane

Cortés-Arriagada, Diego; Miranda-Rojas, Sebastián; Ortega, Daniela E.; Toro-Labbé, Alejandro

Article ISI SCOPUS
PHYSICAL CHEMISTRY CHEMICAL PHYSICS  (2017)

Palmitic acid and hexadecylamine molecules assdsorbed on titania surface in hybrid composites. Effect of surfactants using density functional theory

Orellana, Carlos; Mendiz?bal, Fernando; Gonz?lez, Guillermo; Miranda-Rojas, Sebasti?n; Barrientos, Lorena

Article ISI SCOPUS
COMPUTATIONAL AND THEORETICAL CHEMISTRY  (2017)

The Influence of the Metal Cations and Microhydration on the Reaction Trajectory of the N3 <-> O2 Thymine Proton Transfer: Quantum Mechanical Study

Šebesta F.; Brela M.Z.; Diaz S.; Miranda S.; Murray J.S.; Gutiérrez-Oliva S.; Toro-Labbé A.; Michalak A.; Burda J.V.

Article ISI SCOPUS
JOURNAL OF COMPUTATIONAL CHEMISTRY  (2017)

Catalytic aspects of metallophthalocyanines adsorbed on gold-electrode. Theoretical exploration of the binding nature role

Miranda-Rojas, S; Sierra-Rosales, P; Munoz-Castro, A; Arratia-Perez, R; Zagal, JH; Mendizabal, F

Article ISI SCOPUS
PHYSICAL CHEMISTRY CHEMICAL PHYSICS  (2016)

Surface on Surface. Survey of the Monolayer Gold-Graphene Interaction from Au12 and PAH via Relativistic DFT Calculations

Muñoz-Castro, A; Gomez, T; Carey D.M.; Miranda-Rojas, S; Mendizabal, F; Zagal, J.H.; Arratia-Perez, R

Article ISI SCOPUS
Journal of Physical Chemistry C  (2016)

Theoretical exploration of seleno and tellurophenols as promising alternatives to sulfur ligands for anchoring to gold (111) materials

Miranda-Rojas, S; Salazar-Molina, R; Kastner, J; Arratia-Perez, R; Mendizabal, F

Article ISI SCOPUS
RSC Advances  (2016)

A comparative study between post-Hartree-Fock methods and density functional theory in closed-shell aurophilic attraction

Mendizabal, F; Miranda-Rojas, S; Barrientos-Poblete L.

Article ISI SCOPUS
COMPUTATIONAL AND THEORETICAL CHEMISTRY  (2015)

Mechanistic insights into the dehalogenation reaction of fluoroacetate/fluoroacetic acid

Miranda-Rojas, S; Toro-Labbe, A

Article ISI SCOPUS
Journal of Chemical Physics  (2015)

Theoretical study on interactions of fluorinated organomercurials with arene and gold fragments

Mendizabal, F; Miranda-Rojas, S; Barrientos, L

Article ISI SCOPUS
Physical Chemistry Chemical Physics  (2015)

Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111)

Miranda-Rojas, S; Munoz-Castro, A; Arratia-Perez, R; Mendizabal, F

Article ISI SCOPUS
Physical Chemistry Chemical Physics  (2013)

Computational Studies of the Metal-Binding Site of the Wild-Type and the H46R Mutant of the Copper, Zinc Superoxide Dismutase

Mera-Adasme, R; Mendizabal, F; Gonzalez, M.; Miranda-Rojas, S; Olea Azar C.; Sundholm, D

Article ISI SCOPUS
Inorganic Chemistry  (2012)

Enhancement of the Catalytic Activity of Fe Phthalocyanine for the Reduction of O-2 Anchored to Au(111) via Conjugated Self-Assembled Mono layers of Aromatic Thiols As Compared to Cu Phthalocyanine

Ponce I.; Silva J.F.; Onate, R; Rezende M.C.; Páez M.A.; Zagal, J.H.; Pavez, J; Mendizabal, F; Miranda-Rojas, S; Munoz-Castro, A; Arratia-Perez, R

Article ISI SCOPUS
JOURNAL OF PHYSICAL CHEMISTRY C  (2012)

Influence of Protonation on Substrate and Inhibitor Interactions at the Active Site of Human Monoamine Oxidase-A

Zapata-Torres, G; Fierro, A.; Miranda-Rojas, S; Guajardo, C.; Saez-Briones, P; Salgado J.C.; Celis-Barros, C

Article ISI SCOPUS
Journal of Chemical Information and Modeling  (2012)

A Computationally Efficient and Reliable Bond Order Measure

Mera-Adasme, R; Mendizabal, F; Olea Azar C.; Miranda-Rojas, S; Fuentealba P.

Article ISI SCOPUS
Journal of Physical Chemistry A  (2011)

Theoretical and Experimental Study of Bonding and Optical Properties of Self-Assembly Metallophthalocyanines Complexes on a Gold Surface. A Survey of the Substrate-Surface Interaction

Ponce I.; Silva, JF; Onate, R; Miranda-Rojas, S; Munoz-Castro, A; Arratia-Perez, R; Mendizabal, F; ZAGAL, JH

Article ISI SCOPUS
Journal of Physical Chemistry C  (2011)

Spectroscopic characterization of the inclusion complexes of luteolin with native and derivatized beta-cyclodextrin

Jullian C.; Cifuentes, C; Alfaro, M; Miranda, S.; Barriga, G; Olea Azar C.

Article ISI SCOPUS
Bioorganic and Medicinal Chemistry  (2010)

Studies of inclusion complexes of natural and modified cyclodextrin with (+)catechin by NMR and molecular modeling

Jullian C.; Miranda, S.; Zapata-Torres, G; Mendizabal, F; Olea Azar C.

Article ISI SCOPUS
BIOORGANIC & MEDICINAL CHEMISTRY  (2007)

Theoretical study of the interaction d(10)-d(8) between Pt(0) and M(I) on the [Pt(PH3)-MPH3](+) complexes (M = Cu, Ag, Au)

Mendizabal, F; Olea Azar C.; Miranda, S.

Article ISI SCOPUS
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY  (2007)

BookWhole (1)

Theoretical aspects of the reactivity of MN4 macrocyclics in electrochemical reactions

Miranda-Rojas S.; Muñoz-Castro A.; Arratia-Pérez R.; Mendizábal F.

BookWhole SCOPUS
Electrochemistry of N4 Macrocyclic Metal Complexes: Volume 1: Energy, Second Edition  (2016)

Proyecto (6)

Chemical Processes and catalysis

Toro-Labbe, Alejandro; Miranda-Rojas, Sebastián E

Proyecto Young researcher
 (2015)

Supramolecular Chemistry at interfaces: Light- Absorption process in energy conversion and electrocatalysis on gold electrode. A computational chemistry study

Mendizabal, Fernando; Miranda-Rojas, Sebastián E

Proyecto Co-researcher
 (2014)

CEDENNA: Centro para el desarrollo de la nanociencia y la nanotecnología

Dora Altbir; Miranda-Rojas, Sebastián E

Proyecto Postdoctoral Grant
 (2012)

THEORETICAL INSIGHTS INTO THE ENZYMATIC REACTION MECHANISMS OF DEHYDRATASES AND DEHALOGENASES

Miranda-Rojas, Sebastian E; Toro-Labbe, Alejandro M.

Proyecto Postdoctoral Grant
 (2012)

Electronic and Optical Properties in Inorganic Supramolecular Chemistry of Complex Systems Based in Heavy Metals. Quantum Chemistry Study

Mendizabal, Fernando; Miranda-Rojas, Sebastián E

Proyecto Co-researcher
 (0)

Quantum Chemical Exploration of the Mechanisms for the Writing and Erasing of Epigenetic Marks that lead to Cancer

Miranda-Rojas, Sebastian E

Proyecto
 (0)

Review (1)

Noncovalent interactions in inorganic supramolecular chemistry based in heavy metals. Quantum chemistry point of view

Barrientos, L; Miranda-Rojas, S; Mendizabal, F

Review ISI SCOPUS
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY  (2019)

32
Sebastián Miranda

Profesor Asistente

Departamento de Ciencias Químicas

UNIVERSIDAD NACIONAL ANDRES BELLO

Santiago, Chile

8
Fernando Mendizabal

Full Professor

Chemistry

UNIVERSIDAD DE CHILE - FACULTAD DE CIENCIAS

Santiago, Chile

7
Ramiro Arratia

DIRECTOR DOCTORADO

CIENCIAS QUIMICAS

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

5
claudio olea

Full Professor

Inorganica y Analitica

UNIVERSIDAD DE CHILE

Santiago, Chile

4
Alejandro Toro

PROFESOR TITULAR

Química Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

4
Juan Silva

Academic

Química de los Materiales

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

3
Alvaro Muñoz

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

3
Alvaro Muñoz

Full time professor

Dirección de Investigación y Postgrado

Universidad Autónoma de Chile

Santiago, Chile

3
José Zagal

Distinguished Professor

Chemistry of Materials

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

3
Germán Barriga

Asociado

Quimica

Universidad Metropolitana de Ciencias de la Educación

Ñuñoa, Chile

3
Lorena Barrientos

Profesor Asistente

Pontificia Universidad Católica de Chile

Santiago, Chile

2
CAROLINA JULLIAN

Profesor Asociado

Quimica Organica y Fisicoquimica

UNIVERSIDAD DE CHILE

SANTIAGO, Chile

2
Ingrid Ponce

Assistant Professor

Departmento Ciencias del Ambiente

Univerisidad de Santiago de Chile

Santiago, Chile

2
Gerald Zapata

Profesor Asociado

Química Inorgánica y Analítica

Universidad de Chile

Santiago, Chile

2
Diego Cortés

Académico No Regular

Programa Institucional de Fomento a la Investigación, Desarrollo e Innovación

Universidad Tecnológica Metropolitana

Santiago, Chile

2
Paulina Sierra

Investigadora

Universidad Tecnológica Metropolitana

Santiago, Chile

2
MARITZA PAEZ

Full professor

Química de los Materiales

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

2
Raul Mera

Profesor Asistente

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

1
José Salgado

Associate Professor

Chemical Engineering, Biotechnology and Materials

UNIVERSIDAD DE CHILE

Santiago, Chile

1
JORGE PAVEZ

Professor

Materials Chemistry

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

1
Angelica Fierro

Associate

Chemistry

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

1
Mauricio Gonzalez

Profesor Titular

INTA

UNIVERSIDAD DE CHILE - INSTITUTO DE NUTRICION Y TECNOLOGIA DE ALIMENTOS

Santiago, Chile

1
Juan Squella

Académico

Química Orgánica y Físico Química

UNIVERSIDAD DE CHILE, FACULTAD DE CIENCIAS QUÍMICAS Y FARMACÉUTICAS

Santiago, Chile

1
Cristhian Berríos

Académico

Ciencias del Ambiente

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

1
patricio fuentealba

Profesor Titular

Física

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

Santiago, Chile

1
Daniela Ortega

Profesora Asistente

Ciencias Químicas y Bíologicas

Universidad Bernardo O'Higgins

Santiago, Chile

1
Nery Villegas

Profesor Asistente

Universidad de Concepción

Universidad de Concepción

Concepción, Chile

1
Desmond MacLeod-Carey

Associate Professor

Facultad de Ingeniería

Universidad Autónoma de Chile

Santiago, Chile