Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide: A basis set and correlation study. - Hanna Kjær; Monia R. Nielsen; Gabriel I. Pagola; Marta B. Ferraro; Paolo Lazzeretti; Stephan P. A. Sauer (J. Comput. Chem., 2012)

Computational study of basis set and electron correlation effects on anapole magnetizabilities of chiral molecules. - Natalia Zarycz; Patricio F. Provasi; Gabriel I. Pagola; Marta B. Ferraro; Stefano Pelloni; Paolo Lazzeretti (J. Comput. Chem., 2016)

The influence of relativistic effects on nuclear magnetic resonance spin-spin coupling constant polarizabilities of H2O2, H2S2, H2Se2, and H2Te2. - Gabriel I. Pagola; Martin A. B. Larsen; Marta B. Ferraro; Stephan P. A. Sauer (J. Comput. Chem., 2018)

Physical achirality in geometrically chiral rotamers of hydrazine and boranylborane molecules. - Gabriel I. Pagola; Marta B. Ferraro; Patricio F. Provasi; Stefano Pelloni; Paolo Lazzeretti (J. Comput. Chem., 2021)

On the axial chirality of leucoindigo. - Gabriel I. Pagola; Patricio F. Provasi; Marta B. Ferraro; Paolo Lazzeretti (J. Comput. Chem., 2023)

An open science grid implementation of the steady state genetic algorithm for crystal structure prediction. - Kristal N. Varela; Gabriel I. Pagola; Albert M. Lund; Marta B. Ferraro; Anita M. Orendt; Julio C. Facelli (J. Comput. Sci., 2024)