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Ortiz Quantum Chemistry Group

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Publications of J. V. Ortiz

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2013

J. V. Ortiz*, Electron Propagator Theory: An Approach to Prediction and Interpretation in Quantum Chemistry, WIREs Comput. Mol. Sci. 3, 123-42 (2013). Request reprint. DOI:10.1002/wcms.1116

A. Beste*, A. Vázquez-Mayagoitia and J. V. Ortiz, Direct Δ-MBPT(2) method for ionization potentials, electron affinities and excitations energies using fractional occupation numbers, J. Chem. Phys. 138, 074101/1-13 (2013). Request reprint. Copyright 2013 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

J. Chen, A. Buonaugurio, O. Dolgounitcheva, V. G. Zakrzewski, K. H. Bowen* and J. V. Ortiz*, Photoelectron Spectroscopy of the 6-Azauracil Anion, J. Phys. Chem. 117, 1079-82 (2013) . Request reprint. DOI: 10.1021/jp303964j

O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz*, Assignment of Photoelectron Spectra of Halide-Water Clusters: Contrasting Patterns of Delocalization in Dyson orbitals, J. Chem. Phys. 138, 164317/1-10 (2013). Request reprint. Copyright 2013 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

M. Díaz-Tinoco, J. Romero, J. V. Ortiz, A. Reyes and R. Flores-Moreno*, A generalized any-particle propagator theory: Prediction of proton affinities and acidity properties with the proton propagator, J. Chem. Phys. 138, 194108/1-10 (2013). Request reprint. Copyright 2013 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

O. Dolgounitcheva, V. G. Zakrzewski, L. Streit and J. V. Ortiz*, Microsolvation Effects on the Electron Binding Energies of Halide Anions, Mol. Phys. 112, 332-9 (2013). Request reprint.DOI: 10.1080/00268976.2013.812756

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