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Ortiz Quantum Chemistry Group

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Publications of J. V. Ortiz

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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). Request reprint. 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). Request reprint. 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). Request reprint. 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). Request reprint. 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.

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). Request reprint. 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). Request reprint. 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).