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Publications of J. V. Ortiz
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).
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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).
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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).
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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).
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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).
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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).
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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).
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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).
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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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