artículo académico

• Furfural adsorption on V2O5 surface: A combined experimental-theoretical study.  CHEMICAL PHYSICS LETTERS.  845. 2024
• A RATIONALE FOR THE UNLIKE POTENCY OF AVIBACTAM AND ETX2514 AGAINST OXA-24 ß-LACTAMASE.  ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS.  727. 2022
• A THEORETICAL APPROACH FOR THE ACYLATION/DEACYLATION MECHANISMS OF AVIBACTAM IN THE REVERSIBLE INHIBITION OF KPC-2.  JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN.  35(9):943-952. 2021
• CONVERSION OF GLYCEROL TO HYDROXYACETONE OVER SRTIO3-TYPE PEROVSKITE: A DFT STUDY.  JOURNAL OF KING SAUD UNIVERSITY SCIENCE.  33(8). 2021
• JOURNAL OF MOLECULAR STRUCTURE.  JOURNAL OF MOLECULAR STRUCTURE.  1226. 2021
• ACS OMEGA.  ACS OMEGA.  4(26):21954-21961. 2019
• BIOPHYSICAL JOURNAL.  BIOPHYSICAL JOURNAL.  116(9):1650-1657. 2019
• JOURNAL OF COMPUTATIONAL CHEMISTRY.  JOURNAL OF COMPUTATIONAL CHEMISTRY.  39(24):1943-1948. 2018
• A DFT STUDY ON THE CHIRAL SYNTHESIS OF R-PHENYLACETYL CARBINOL WITHIN THE QUANTUM CHEMICAL CLUSTER APPROACH.  CHEMICAL PHYSICS LETTERS.  677:30-34. 2017
• A QM/MM STUDY ON THE ENZYMATIC INACTIVATION OF CEFOTAXIME.  JOURNAL OF MOLECULAR MODELING.  23(7):1-7. 2017
• JOURNAL OF CHEMICAL INFORMATION AND MODELING.  JOURNAL OF CHEMICAL INFORMATION AND MODELING.  55:1640-1644. 2015