PERCINO ZACARIAS, MARIA JUDITH

Publicaciones ORCID

2026

Substituent effects on the structure-optoelectronic properties relationships in diphenyl-1H-imidazolylphenyl derivatives: Experimental and theoretical studies Journal of Molecular Structure

Halogenated N’-(adamantan-2-ylidene)benzohydrazides as anti-proliferative agents: Supramolecular insights and EGFR-targeted docking and molecular dynamics studies Journal of Molecular Structure

Molecular Geometry, Frontier Molecular Orbitals, and Spectroscopic Analysis of 2-(4-Formylbenzyl)malononitrile: A Combined Experimental and Computational Laboratory Experiment Journal of Chemical Education

2025

Weak noncovalent interactions of 2,4-disubstituted pyrimidine-5-carbonitriles: Insights from quantum chemical calculations, molecular docking, and molecular dynamics simulations Journal of Molecular Structure

Integrated experimental and computational investigations of crystal structure, and photophysical properties of 2,7-dibromo-9-(4-halobenzylidene)-9H-fluorene frameworks Journal of Molecular Structure

Physicochemical properties of (Z)-3-(4-((Hydroxymethyl)(methyl)amino)phenyl)-2-(4-halophenyl) acrylonitriles: A comprehensive experimental and theoretical study Journal of Molecular Structure

Synthesis and crystal structure of catena-poly[[bis(nitrato-κ2 O,O′)strontium(II)]-di-μ-L-histidine-κ3 O,O′:O;κ2 O:O′] Acta Crystallographica Section E Crystallographic Communications

Weak halogen and hydrogen bonds in three closely related acridine-1,8(2H,5H)‑dione derivatives: Experimental and computational exploration Journal of Molecular Structure

Positional isomers and non-covalent interactions of acrylonitrile-methylpyridinium iodide salts: Combined experimental and quantum chemical calculations investigations Journal of Molecular Structure

Evaluation of charge-assisted hydrogen bonds and weak intermolecular interaction in trimethoprim 2-aminobenzoate: A combined crystallographic and theoretical approach Journal of Molecular Structure