Strongly Bound Frenkel Excitons on TiO2 Nanoparticles: An Evolutionary and DFT Approach
Olvera-Neria, Oscar, García-Cruz, Raúl, Gonzalez-Torres, Julio, García-Cruz, Luz María, Castillo-Sánchez, Jean Luis, Poulain, Enrique
Published in International journal of photoenergy (21.02.2024)
Published in International journal of photoenergy (21.02.2024)
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Journal Article
C-, N-, S-, and F-Doped Anatase TiO2 (101) with Oxygen Vacancies: Photocatalysts Active in the Visible Region
García-Cruz, Raúl, Domínguez-Soria, Víctor, Poulain, Enrique, González-Torres, Julio César, Olvera-Neria, Oscar
Published in International journal of photoenergy (01.01.2018)
Published in International journal of photoenergy (01.01.2018)
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Journal Article
Importance of Pd and Pt excited states in N2O capture and activation: A comparative study with Rh and Au atoms
Poulain, Enrique, Rubio-Ponce, Alberto, Uc, Victor Hugo, Bertin, Virineya, Olvera-Neria, Oscar
Published in International journal of quantum chemistry (05.07.2013)
Published in International journal of quantum chemistry (05.07.2013)
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Journal Article
Nucleation Mechanisms of Aromatic Polyesters, PET, PBT, and PEN, on Single-Wall Carbon Nanotubes: Early Nucleation Stages
González-Torres, Julio, Olvera-Neria, Oscar, Cruz-Delgado, Víctor, Avila-Orta, Carlos, Espinoza-Martínez, Adriana, Medellín-Rodríguez, Francisco J.
Published in Journal of nanomaterials (01.01.2012)
Published in Journal of nanomaterials (01.01.2012)
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Journal Article
Strongly Bound Frenkel Excitons on TiO[sub.2] Nanoparticles: An Evolutionary and DFT Approach
Olvera-Neria, Oscar, García-Cruz, Raúl, Gonzalez-Torres, Julio, García-Cruz, Luz María, Castillo-Sánchez, Jean Luis, Poulain, Enrique
Published in International Journal of Photoenergy (21.02.2024)
Published in International Journal of Photoenergy (21.02.2024)
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Journal Article
The π back-donation influence in CO oxidation on small and oxidized Au–Ag clusters
García-Cruz, Raúl, Gonzalez-Torres, Julio, Montoya-Moreno, Arnulfo, Domínguez-Soria, Víctor, Luna-García, Héctor, Poulain, Enrique, Arellano, J.S., Olvera-Neria, Oscar
Published in Chemical physics (01.04.2022)
Published in Chemical physics (01.04.2022)
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Journal Article
Density Functional Theory and Electrochemical Studies: Structure–Efficiency Relationship on Corrosion Inhibition
Camacho-Mendoza, Rosa L, Gutiérrez-Moreno, Evelin, Guzmán-Percástegui, Edmundo, Aquino-Torres, Eliazar, Cruz-Borbolla, Julián, Rodríguez-Ávila, José A, Alvarado-Rodríguez, José G, Olvera-Neria, Oscar, Thangarasu, Pandiyan, Medina-Franco, José L
Published in Journal of chemical information and modeling (23.11.2015)
Published in Journal of chemical information and modeling (23.11.2015)
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Journal Article
The CO oxidation mechanism on small Pd clusters. A theoretical study
González-Torres, Julio César, Bertin, Virineya, Poulain, Enrique, Olvera-Neria, Oscar
Published in Journal of molecular modeling (01.11.2015)
Published in Journal of molecular modeling (01.11.2015)
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Journal Article
Optical properties of anatase TiO2: synergy between transition metal doping and oxygen vacancies
González-Torres, Julio César, Cipriano, Luis A., Poulain, Enrique, Domínguez-Soria, Víctor, García-Cruz, Raúl, Olvera-Neria, Oscar
Published in Journal of molecular modeling (01.10.2018)
Published in Journal of molecular modeling (01.10.2018)
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Journal Article
C-, N-, S-, and F-Doped Anatase TiO 2 (101) with Oxygen Vacancies: Photocatalysts Active in the Visible Region
González-Torres, Julio César, Poulain, Enrique, Domínguez-Soria, Víctor, García-Cruz, Raúl, Olvera-Neria, Oscar
Published in International journal of photoenergy (10.06.2018)
Published in International journal of photoenergy (10.06.2018)
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Journal Article
Effect of Spin Multiplicity in O2 Adsorption and Dissociation on Small Bimetallic AuAg Clusters
García-Cruz, Raúl, Poulain, Enrique, Hernández-Pérez, Isaías, Reyes-Nava, Juan A, González-Torres, Julio C, Rubio-Ponce, A, Olvera-Neria, Oscar
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.08.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.08.2017)
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Journal Article
C-, N-, S-, and F-Doped Anatase Ti[O.sub.2] with Oxygen Vacancies: Photocatalysts Active in the Visible Region
Gonzalez-Torres, Julio Cesar, Poulain, Enrique, Dominguez-Soria, Victor, Garcia-Cruz, Raul, Olvera-Neria, Oscar
Published in International Journal of Photoenergy (01.01.2018)
Published in International Journal of Photoenergy (01.01.2018)
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Journal Article
DFT analysis: Fe4 cluster and Fe(110) surface interaction studies with pyrrole, furan, thiophene, and selenophene molecules
Camacho-Mendoza, Rosa L., Aquino-Torres, Eliazar, Cruz-Borbolla, Julian, Alvarado-Rodríguez, Jose G., Olvera-Neria, Oscar, Narayanan, Jayanthi, Pandiyan, Thangarasu
Published in Structural chemistry (01.02.2014)
Published in Structural chemistry (01.02.2014)
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Journal Article
Importance of Pd and Pt excited states in N 2 O capture and activation: A comparative study with Rh and Au atoms
Poulain, Enrique, Rubio‐Ponce, Alberto, Uc, Victor Hugo, Bertin, Virineya, Olvera‐Neria, Oscar
Published in International journal of quantum chemistry (05.07.2013)
Published in International journal of quantum chemistry (05.07.2013)
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Journal Article
Optical properties of anatase TiO 2 : synergy between transition metal doping and oxygen vacancies
González-Torres, Julio César, Cipriano, Luis A, Poulain, Enrique, Domínguez-Soria, Víctor, García-Cruz, Raúl, Olvera-Neria, Oscar
Published in Journal of molecular modeling (07.09.2018)
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Published in Journal of molecular modeling (07.09.2018)
Journal Article