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Publications of J. V. Ortiz
2012
O. Dolgounitcheva, V. G. Zakrzewski and J. V.
Ortiz*, Ab initio Electron Propagator
Calculations on Electron Detachment
Energies of Nickel Phthalocyanine Tetrasulfonate Tetraanions,
Int. J. Quantum Chem. 112, 184-94 (2012).
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DOI:10.1002/qua.23216
S. Zein and J. V. Ortiz*, Interpretation of the photoelectron
spectra of superalkali species: Na3O and
Na3O-, J. Chem. Phys.
136,
224305/1-6 (2012).
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Copyright 2012 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.
K. Endo*, T. Ida, S. Shimada, J. V. Ortiz, K. Deguchi, T. Shimizu and K. Yamada,
Valence XPS, IR, and solution C13 NMR Spectral analysis of six polymers by quantum chemical
calculations, J. Mol. Struct. 1027, 20-30 (2012).
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DOI:10.1016/j.molstruc.2012.05.051
O. Dolgounitcheva, V. G. Zakrzewski and
J. V. Ortiz*, Electronic Structure of a Beryllium Half-Sandwich Complex,
Be(η5-C5H5) ,
Int. J. Quantum Chem. 112, 2981-5 (2012).
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DOI:10.1002/qua.22705
K. Endo*, T. Ida, S. Simada and J. V. Ortiz, Valence XPS, IR, and solution C13
NMR Spectral analysis of representative polymers by quantum chemical calculations, in
Progress in Theoretical Chemistry and Physics, K. Nishikawa, J. Maruan, E. J. Brändas, G. Delgado-Barrio
and P. Piecuch, eds., 393-403, Springer,
Dordrecht, 2012.
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DOI:10.1007/978-94-007-5297-9_21
O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz*,
Electron Detachment Energies of Aqueous and Cluster Halide Anions from Electron Propagator
Calculations with the Polarizable Continuum Model, Int. J. Quantum Chem.
112, 3840-8 (2012).
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DOI:10.1002/qua.24254
L. Streit, O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz*,
Valence and Diffuse-Bound Anions of Noble-Gas Complexes with Uracil,
J. Chem. Phys.
137,
194310/1-10 (2012).
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Copyright 2012 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*,
Concepts of Chemical Bonding from Electron Propagator Theory,
American Institute of Physics Conference Proceedings 1456
(Theory and Applications in Computational Chemistry:
The First Decade of the Second Millenium), 73-80 (2012).
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DOI 10.1063/1.4730645
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