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Buscar por Autor Sarotti, Ariel M.

Mostrando resultados 1 a 7 de 7
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DP4+App.pdf.jpg2023DP4+App: Finding the Best Balance between Computational Cost and Predictive Capacity in the Structure Elucidation Process by DP4+. Factors Analysis and AutomationFranco, Bruno A. ; Luciano, Ezequiel R. ; Sarotti, Ariel M. ; Zanardi, María M. 
giao-c-h-cosy-simulations-merged.pdf.jpg2015GIAO C−H COSY simulations merged with artificial neural networks pattern recognition analysis: pushing the structural validation a step forwardZanardi, María Marta ; Sarotti, Ariel M. 
effect-intramolecular-h-bonding.jpg.jpg2019On the effect of intramolecular H-bonding in the configurational assessment of polyhydroxylated compounds with computational methods : The hyacinthacines caseZanardi, María Marta ; Sortino, Maximiliano A. ; Sarotti, Ariel M. 
overcoming-ring-tension.pdf.jpg2025Overcoming the ring tension: computational approaches to stereochemical assignments and geometrical insights in small heterocyclesLuciano, Ezequiel R. ; Amichetti, Milagros ; Sarotti, Ariel M. ; Zanardi, María M. 
redefining-impac-boltzmann.pdf.jpg2019Redefining the Impact of Boltzmann Analysis in the stereochemical assignment of polar and flexible molecules by NMR calculationsZanardi, María Marta ; Marcarino, Maribel O. ; Sarotti, Ariel M. 
solvent-matters-bridging.pdf.jpg2026Solvent Matters: Bridging Theory and Experiment in Quantum-Mechanical NMR Structural ElucidationCortés, Iván ; Cuadrado, Cristina ; Gavín, José A. ; Zanardi, María Marta ; Hernández Daranas, Antonio ; Sarotti, Ariel M. 
study-heavy-atom.pdf.jpg2024Study of heavy atom influence on polyhalogenated compounds using DP4/MM-DP4+/ DP4+: insights and trendsPassaglia, Lucas ; Zanardi, María M. ; Sarotti, Ariel M. 
Mostrando resultados 1 a 7 de 7