GIAO C−H COSY simulations merged with artificial neural networks pattern recognition analysis: pushing the structural validation a step forward

por Zanardi, María M., Sarotti, Ariel M.
Publicado 2021

GIAO C−H COSY simulations merged with artificial neural networks pattern recognition analysis: pushing the structural validation a step forward

por Zanardi, María Marta, Sarotti, Ariel M.
Publicado 2021

Study of heavy atom influence on polyhalogenated compounds using DP4/MM-DP4+/ DP4+: insights and trends

por Passaglia, Lucas, Zanardi, María M., Sarotti, Ariel M.
Publicado 2024

On the effect of intramolecular H-bonding in the configurational assessment of polyhydroxylated compounds with computational methods : The hyacinthacines case

por Zanardi, María Marta, Sortino, Maximiliano A., Sarotti, Ariel M.
Publicado 2019

Redefining the Impact of Boltzmann Analysis in the stereochemical assignment of polar and flexible molecules by NMR calculations

por Zanardi, María Marta, Marcarino, Maribel O., Sarotti, Ariel M.
Publicado 2022

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

por Franco, Bruno A., Luciano, Ezequiel R., Sarotti, Ariel M., Zanardi, María M.
Publicado 2023