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Ortiz Quantum Chemistry Group

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Publications of J. V. Ortiz

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2005

A. B. Trofimov, V. G. Zakrzewski, O. Dolgounitcheva, J. V. Ortiz*, V. F. Sidorkin, E. V. Belogolova, M. Belogolov and V. A. Pestunovich, Silicon-Nitrogen Bonding in Silatranes: Assignment of Photoelectron Spectra, J. Am. Chem. Soc. 127, 986-95 (2005).
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B. Weiner* and J. V. Ortiz, Correlated, One-Electron Wave Functions, Int. J. Quantum Chem. 104, 299-327 (2005). Request reprint. DOI:10.1002/qua.20607

A. Guevara-García, A. Martínez* and J. V. Ortiz, Addition of water, methanol and ammonia to Al3O3- clusters: reaction products, transition states and electron detachment energies, J. Chem. Phys. 122, 214309/1-7 (2005).
Request reprint. Copyright 2005 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 and J. V. Ortiz*, Electron Propagator Calculations Show that Alkyl Substituents Alter Porphyrin Ionization Energies, J. Am. Chem. Soc. 127, 8240-1 (2005).
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J. Melin, J. V. Ortiz*, I. Martín, A. M. Velasco, and C. Lavín, Ground and excited states of the Rydberg radical OH3: Electron propagator and quantum defect analysis, J. Chem. Phys. 122, 234317/1-7 (2005).
Request reprint. Copyright 2005 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.

G. M. Seabra, I. G. Kaplan and J. V. Ortiz*, Molecular photoionization cross sections in electron propagator theory: Angular distributions beyond the dipole approximation, J. Chem. Phys. 123, 114105/1-6 (2005).
Request reprint. Copyright 2005 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. Melin, P. W. Ayers and J. V. Ortiz*, The Electron Propagator Approach to Conceptual Density Functional Theory, J. Chem. Sci. (Proc. Indian Acad. of Sci., Bangalore) 117, 387-400 (2005).

W. A. Tiznado, P. Fuentealba and J. V. Ortiz*, Pseudopotential and Electron Propagator Methods for the Calculation of the Photoelectron Spectra of Anionic Silicon Clusters: Predictions on Si10-, J. Chem. Phys. 123, 144314/1-7 (2005).
Request reprint. Copyright 2005 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. V. Ortiz*, An Efficient, Renormalized Self-Energy for Calculating the Electron Binding Energies of Closed-Shell Molecules and Anions, Int. J. Quantum Chem. 105, 803-8 (2005). Request reprint. DOI:10.1002/qua.20664

Y. Dahnovsky*, V. G. Zakrzewski, A. Kletsov and J. V. Ortiz*, Ab initio electron propagator theory of molecular wires: I. Formalism, J. Chem. Phys. 123, 184711/1-6 (2005).
Request reprint. Copyright 2005 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 and J. V. Ortiz*, Ab Initio Electron Propagator Calculations on the Ionization Energies of Free Base Porphine, Magnesium Porphyrin and Zinc Porphyrin, J. Phys. Chem. A 109, 11596-11601 (2005).
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