Sebastian Rojas-Miranda

Av. República 275
Santiago, RM 8370146, Chile

Last Updated: 09/26/2026

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Found 31 publications

The Metallophilicity Phenomenon: The Interplay of Steric, Orbital, Dispersion, and Electronic Correlation Effects in Closed-Shell Metal-Metal Contacts.

The Metallophilicity Phenomenon: The Interplay of Steric, Orbital, Dispersion, and Electronic Correlation Effects in Closed-Shell Metal-Metal Contacts.

Journal: Inorganic chemistry

Published: May 07, 2026

Unraveling the Molecular Basis of NSD3 Allosteric Activation Driven by Nucleosome Binding: A Multiscale MD and QM/MM Approach.

Unraveling the Molecular Basis of NSD3 Allosteric Activation Driven by Nucleosome Binding: A Multiscale MD and QM/MM Approach.

Journal: Journal of chemical information and modeling

Published: April 06, 2026

Development of a Novel Alginate-Based Amlodipine Nanoplex for the Formulation of an Oral Film in Antihypertensive Therapy.

Development of a Novel Alginate-Based Amlodipine Nanoplex for the Formulation of an Oral Film in Antihypertensive Therapy.

Journal: Pharmaceutics

Published: March 27, 2026

Insights into the Catalytic Mechanism and Selectivity of S-Adenosyl Methionine (SAM)-Dependent Fluorinase toward Carbon-Halogen Bond Formation.

Insights into the Catalytic Mechanism and Selectivity of S-Adenosyl Methionine (SAM)-Dependent Fluorinase toward Carbon-Halogen Bond Formation.

Journal: Journal of chemical information and modeling

Published: June 26, 2025

From Structure to Function: The Promise of PAMAM Dendrimers in Biomedical Applications.

From Structure to Function: The Promise of PAMAM Dendrimers in Biomedical Applications.

Journal: Pharmaceutics

Published: June 14, 2025

Unveiling SalL Chlorinase Reaction Mechanism and Selectivity through Quantum Mechanical/Molecular Mechanics and Activation-Strain Model.

Unveiling SalL Chlorinase Reaction Mechanism and Selectivity through Quantum Mechanical/Molecular Mechanics and Activation-Strain Model.

Journal: ChemPlusChem

Published: May 21, 2025

Computational exploration of the electrochemical oxidation mechanism of thiocyanate catalyzed by cobalt-phthalocyanines.

Computational exploration of the electrochemical oxidation mechanism of thiocyanate catalyzed by cobalt-phthalocyanines.

Journal: Physical chemistry chemical physics : PCCP

Published: January 16, 2025

The Noncovalent Interaction in Dinuclear Bridged Gold(I) Complexes: A Theoretical Study.

The Noncovalent Interaction in Dinuclear Bridged Gold(I) Complexes: A Theoretical Study.

Journal: The journal of physical chemistry. A

Published: December 18, 2024

Documentary Analysis of Hypericum perforatum (St. John's Wort) and Its Effect on Depressive Disorders.

Documentary Analysis of Hypericum perforatum (St. John's Wort) and Its Effect on Depressive Disorders.

Journal: Pharmaceuticals (Basel, Switzerland)

Published: October 23, 2024

Boron-nitrogen fullerenes as electrocatalysts for nitrogen reduction: A computational study of affinity and reaction mechanism.

Boron-nitrogen fullerenes as electrocatalysts for nitrogen reduction: A computational study of affinity and reaction mechanism.

Journal: iScience

Published: July 29, 2024

Closed-shell d10-d10 mechanochromic [AuPh(CNPh)]n complex: quantum chemistry electronic and optical properties.

Closed-shell d10-d10 mechanochromic [AuPh(CNPh)]n complex: quantum chemistry electronic and optical properties.

Journal: RSC advances

Published: December 29, 2023

Is there a Covalent Au(I)-Au(I) Bond in the trans-(AuX)2 (X = F, Cl, Br, I) Structure? A Post-Hartree-Fock and Density Functional Theory Study.

Is there a Covalent Au(I)-Au(I) Bond in the trans-(AuX)2 (X = F, Cl, Br, I) Structure? A Post-Hartree-Fock and Density Functional Theory Study.

Journal: Inorganic chemistry

Published: September 10, 2023

Showing 1-12 of 31

Last Updated: 09/26/2026