Marta B. Ferraro - researchr alias

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Viewing Publication 1 - 10 from 10

2023

On the axial chirality of leucoindigoGabriel I. Pagola, Patricio F. Provasi, Marta B. Ferraro, Paolo Lazzeretti. jcc, 44(17):1578-1586, 2023. [doi]

2021

Physical achirality in geometrically chiral rotamers of hydrazine and boranylborane moleculesGabriel I. Pagola, Marta B. Ferraro, Patricio F. Provasi, Stefano Pelloni, Paolo Lazzeretti. jcc, 42(25):1772-1782, 2021. [doi]

2018

Calcium interactions with Cx26 hemmichannel: Spatial association between MD simulations biding sites and variant pathogenicityJuan M. R. Albano, Nahuel Mussini, Roxana Toriano, Julio C. Facelli, Marta B. Ferraro, Mónica Pickholz. CANDC, 77:331-342, 2018. [doi]

The influence of relativistic effects on nuclear magnetic resonance spin-spin coupling constant polarizabilities of H2O2, H2S2, H2Se2, and H2Te2Gabriel I. Pagola, Martin A. B. Larsen, Marta B. Ferraro, Stephan P. A. Sauer. jcc, 39(31):2589-2600, 2018. [doi]

2016

Computational study of basis set and electron correlation effects on anapole magnetizabilities of chiral moleculesNatalia Zarycz, Patricio F. Provasi, Gabriel I. Pagola, Marta B. Ferraro, Stefano Pelloni, Paolo Lazzeretti. jcc, 37(17):1552-1558, 2016. [doi]

2012

Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide: A basis set and correlation studyHanna Kjær, Monia R. Nielsen, Gabriel I. Pagola, Marta B. Ferraro, Paolo Lazzeretti, Stephan P. A. Sauer. jcc, 33(23):1845-1853, 2012. [doi]

2009

Parallel Genetic Algorithms for Crystal Structure Prediction: Successes and Failures in Predicting Bicalutamide PolymorphsMarta B. Ferraro, Anita M. Orendt, Julio C. Facelli. icic 2009: 120-129 [doi]

Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force fieldSeonah Kim, Anita M. Orendt, Marta B. Ferraro, Julio C. Facelli. jcc, 30(13):1973-1985, 2009. [doi]

2007

Prediction of structures and related properties of silicon clustersMarta B. Ferraro. jcmse, 7(3-4):195-217, 2007. [doi]

2005

A general framework to understand parallel performance in heterogeneous clusters: analysis of a new adaptive parallel genetic algorithmVictor E. Bazterra, Martin Cuma, Marta B. Ferraro, Julio C. Facelli. jpdc, 65(1):48-57, 2005. [doi]

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