QUÍMICA FÍSICA
Departament
Universidad de Buenos Aires
Buenos Aires, ArgentinaPublicaciones en colaboración con investigadores/as de Universidad de Buenos Aires (6)
2016
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Ab initio quantum-chemical computations of the electronic states in HgBr2 and IBr: Molecules of interest on the Earth’s atmosphere
Journal of Chemical Physics, Vol. 145, Núm. 24
2014
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Antiprotozoan lead discovery by aligning dry and wet screening: Prediction, synthesis, and biological assay of novel quinoxalinones
Bioorganic and Medicinal Chemistry, Vol. 22, Núm. 5, pp. 1568-1585
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The Dalton quantum chemistry program system
Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 4, Núm. 3, pp. 269-284
2009
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Discovery of novel trichomonacidals using LDA-driven QSAR models and bond-based bilinear indices as molecular descriptors
QSAR and Combinatorial Science, Vol. 28, Núm. 1, pp. 9-26
2003
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Fractal calibration in size-exclusion chromatography: I. An introduction
Journal of Chromatography A, Vol. 996, Núm. 1-2, pp. 33-43
2000
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Theoretical and structural studies of lithium cyclic amide conformations. Monomers and aggregates
Journal of the Chemical Society. Perkin Transactions 2, pp. 1619-1624