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Publications of J. V. Ortiz
2007
J. Melin, G. Seabra and J. V. Ortiz*,
Electronic Structure and Reactivity in Double Rydberg Anions:
Characterization of a Novel Kind of Electron Pair, in
Theoretical Aspects of Chemical Reactivity, Volume 19, 87-100,
A. Toro-Labbé, Editor, Elsevier, Amsterdam, 2007.
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DOI:10.1016/S1380-7323(07)80007-0
A. Guevara-García, A. Martínez* and J. V. Ortiz,
Sequential Addition of H2O, CH3OH and NH3 to
Al3O3-: A Theoretical Study,
J. Chem. Phys. 126, 024309/1-6 (2007).
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Copyright 2007 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*,
Vertical Ionization Energies and Molecular Orbital Structure
of Cubane, in Nanoscale Interactions and Their Applications:
Essays in Honour of Ian McCarthy, 127-35, F. Wang and M. J. Brunger, Editors,
Research Signpost, Trivendrum, Kerala, 2007.
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https://trove.nla.gov.au/version/45347405
A. Kletsov, Y. Dahnovsky* and J. V. Ortiz*,
Surface Green function Calculations: A Non-recursive Scheme
with an Infinite Number of Principal Layers,
J. Chem. Phys. 126, 134105/1-5 (2007).
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Copyright 2007 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.
V. V. Zakjevskii, O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz*,
Electron Propagator Studies of Vertical Electron Detachment
Energies and Isomerism in Purinic Deoxyribonucleotides,
Int. J. Quantum Chem. 107, 2266-73 (2007).
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DOI:10.1002/qua.21330
J. Melin and J. V. Ortiz*,
OH3- and O2H5- Double
Rydberg Anions: Predictions and Comparisons with NH4- and
N2H7-, J. Chem. Phys. 127, 014307/1-7 (2007).
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Copyright 2007 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.
R. Flores-Moreno, V. G. Zakrzewski and J. V. Ortiz*,
Assessment of Transition Operator Reference States in Electron Propagator
Calculations,
J. Chem. Phys. 127, 134106/1-8 (2007).
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Copyright 2007 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,
Removing Electrons Can Increase
the Electron Density: A Computational Study of Negative Fukui
Functions , J. Phys. Chem. A 111, 10017-9 (2007).
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DOI:10.1021/jp075573d"
M. R. Sterling, O. Dolgounitcheva, V. G. Zakrzewski, Y.
Dahnovsky and J. V. Ortiz*,
Correlated, Ab Initio
Electron Propagators in the Study of Molecular Wires: Application
to a single molecular bridge placed between two model leads,
Int. J. Quantum Chem. 107, 3228-35 (2007).
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DOI:10.1002/qua.21502
J. Melin, R. K. Singh, M. K. Mishra and J. V. Ortiz*,
Tautomeric Forms of Azolide Anions: Vertical Electron
Detachment Energies and Dyson Orbitals, J. Phys. Chem. A
111, 13069-74 (2007).
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DOI:10.1021/jp075496m"
A. Guevara-García, A. Martínez and J. V. Ortiz*,
Electron Binding Energies and Dyson Orbitals of Al5Om-
(m = 3,4,5) and Al5O5H2-,
J. Chem. Phys. 127, 234302/1-7 (2007).
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Copyright 2007 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*,
Electron Propagator Theory and the Development of Chemical Intuition,
American Institute of Physics Conference Proceedings 963,
(Computation in Modern Science and Engineering, Vol. 2, Part A), 238-40 (2007).
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DOI: 10.1063/1.2836050
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