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Ortiz Quantum Chemistry Group

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Publications of J. V. Ortiz

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A. A. Kletsov*, E. G. Glukhovskoy, A. S. Chumakov and J. V. Ortiz, Ab initio electron propagator calculations of transverse conduction through DNA nucleotide bases in 1-nm nanopore corroborate third generation sequencing, Biochim. Biophys. Acta, General Subjects 160, 140-5 (2016). Request reprint. DOI: 10.1016/j.bbagen.2015.10.013

R. M. Richard, M. S. Marshall, O. Dolgounitcheva, J. V. Ortiz, J. L. Brédas, N. Marom and C. D. Sherrill*, Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules I: Reference Data at the CCSD(T) Complete Basis Set Limit, J. Chem. Theory Comp. 12, 595-604 (2016). Request reprint. DOI: 10.1021/acs.jctc.5b00875

J. Knight, X. Wang, L. Gallandi, O. Dolgounitcheva, X. Ren, J. V. Ortiz, P. Rinke, T. Körzdörfer and N. Marom*, Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods, J. Chem. Theory Comp. 12, 615-626 (2016). Request reprint. DOI: 10.1021/acs.jctc.5b00871

O. Dolgounitcheva, M. Díaz-Tinoco, V. G. Zakrzewski, R. M. Richard, N. Marom, C. D. Sherrill and J. V. Ortiz*, Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods, J. Chem. Theory Comp. 12, 627-37 (2016). Request reprint. DOI: 10.1021/acs.jctc.5b00872

M. A. Díaz-Tinoco and J. V. Ortiz*, Comment on ``Is the regulation of the electronic properties of organic molecules by polynuclear superhalogens more effective than that by mononuclear superhalogens? A high-level ab initio case study'' by M. M. Li, J.-F. Li, H. Bai, Y.-Y. Sun, J.-L. Li and B. Yin, Phys. Chem. Chem. Phys., 2015, 17, 20338, Phys. Chem. Chem. Phys., in press. Request reprint. DOI: 10.1039/C6CP01897A

H. H. Corzo and J. V. Ortiz*, Electron Propagator Theory: Foundations and Predictions, Adv. Quantum Chem., in press.

M. Díaz-Tinoco, O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz*, Composite Electron Propagator Methods for Calculating Ionization Energies, J. Chem. Phys., in press.

A. Martínez Vázquez, A. Galano and J. V. Ortiz, Elena y Gerónimo, Editorial Terracota, México D.F., México, in press.