LUCIANO, EZEQUIEL R.; AMICHETTI, MILAGROS; SAROTTI, ARIEL M.; ZANARDI, MARIA M.

Overcoming the ring tension: computational approaches to stereochemical assignments and geometrical insights in small heterocycles

ORGANIC & BIOMOLECULAR CHEMISTRY; Año: 2025 vol. 23 p. 2480 - 2490

FRANCO, BRUNO A.; LUCIANO, EZEQUIEL R.; SAROTTI, ARIEL M.; ZANARDI, MARÍA M.

DP4+App: Finding the Best Balance between Computational Cost and Predictive Capacity in the Structure Elucidation Process by DP4+. Factors Analysis and Automation

JOURNAL OF NATURAL PRODUCTS; Año: 2023 vol. 86 p. 2360 - 2367