1. Adsorption/desorption process of formaldehyde onto iron doped graphene: a theoretical exploration from density functional theory calculations. Issue 6 (19th December 2016) Authors: Cortés-Arriagada, Diego; Villegas-Escobar, Nery; Miranda-Rojas, Sebastián; Toro-Labbé, Alejandro Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 6(2017) Page Start: 4179 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Biochemical characterization of Peumus boldus fruits: Insights of its antioxidant properties through a theoretical approach. (15th February 2022) Authors: Otero, Carolina; Miranda-Rojas, Sebastián; Llancalahuén, Felipe M.; Fuentes, Juan A.; Atala, Cristian; González-Silva, Gloria; Verdugo, Diego; Sierra-Rosales, Paulina; Moreno, Adrián; Gordillo-Fuenzalida, Felipe Journal: Food chemistry Issue: Volume 370(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Catalytic activity of iron phthalocyanine for the oxidation of thiocyanate and L-cysteine anchored on Au(111) clusters. Issue 17 (22nd November 2019) Authors: Castro-Latorre, Pablo; Miranda-Rojas, Sebastián; Barrientos, Lorena; Mendizabal, Fernando Journal: Molecular simulation Issue: Volume 45:Issue 17(2019) Page Start: 1447 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Catalytic aspects of metallophthalocyanines adsorbed on gold-electrode. Theoretical exploration of the binding nature role. Issue 42 (17th October 2016) Authors: Miranda-Rojas, Sebastián; Sierra-Rosales, Paulina; Muñoz-Castro, Alvaro; Arratia-Pérez, Ramiro; Zagal, José Heráclito; Mendizábal, Fernando Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 42(2016) Page Start: 29516 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Closed-shell d10–d10 in [AuCl(CNR)]n and [AuCl(CO)]n (n = 1, 2; R = –H, –CH3, –Cy) complexes: quantum chemistry study of their electronic and optical properties. Issue 12 (7th March 2022) Authors: Mendizabal, Fernando; Miranda-Rojas, Sebastián Journal: RSC advances Issue: Volume 12:Issue 12(2022) Page Start: 7516 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Electronic and optical properties of [Au(CH3CSS)]4 cluster. A quantum chemistry study. Issue 55 (10th September 2020) Authors: Mendizabal, Fernando; Miranda-Rojas, Sebastián Journal: RSC advances Issue: Volume 10:Issue 55(2020) Page Start: 33549 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Experimental and theoretical insights into the electrooxidation pathway of azo-colorants on glassy carbon electrode. (10th November 2018) Authors: Sierra-Rosales, Paulina; Berríos, Cristhian; Miranda-Rojas, Sebastián; Squella, Juan A. Journal: Electrochimica acta Issue: Volume 290(2018) Page Start: 556 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Mechanistic insights into the adsorption of endocrine disruptors onto polystyrene microplastics in water. (15th February 2023) Authors: Cortés-Arriagada, Diego; Ortega, Daniela E.; Miranda-Rojas, Sebastián Journal: Environmental pollution Issue: Volume 319(2023) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Oxidized and Si-doped graphene: emerging adsorbents for removal of dioxane. Issue 27 (28th June 2017) Authors: Cortés-Arriagada, Diego; Miranda-Rojas, Sebastián; Ortega, Daniela E.; Toro-Labbé, Alejandro Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 27(2017) Page Start: 17587 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Quantum chemistry simulation of the electronic properties in [Au(NH3)2]NO3 and [Au(NCH)2][AuCl4] extended unsupported complexes. Issue 7 (2nd May 2020) Authors: Mendizabal, Fernando; Miranda-Rojas, Sebastián; Castro-Latorre, Pablo Journal: Molecular simulation Issue: Volume 46:Issue 7(2020) Page Start: 521 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗