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Ortiz Quantum Chemistry Group

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Publications of J. V. Ortiz

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2011

O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz*, Electron-Propagator and Coupled-Cluster Calculations on the Photoelectron Spectra of Thiouracil and Dithiouracil Anions, J. Chem. Phys. 134, 074305/1-5 (2011). Request reprint. Copyright 2011 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*, Delocalization of Dyson orbitals in F-(H2O) and Cl-(H2O), Int. J. Quantum Chem. 111, 1701-8 (2011). Request reprint. DOI:10.1002/qua.22705

V. G. Zakrzewski, O. Dolgounitcheva, A. V. Zakjevskii and J. V. Ortiz*, Ab initio Electron Propagator Calculations on Electron Detachment Energies of Fullerenes, Macrocyclic Molecules and Nucleotide Fragments, Advances in Quantum Chemistry 62, 105-36 (2011). Request reprint. DOI:10.1016/B978-0-12-386477-2.00009-7

D. Hahn, K. RaghuVeer and J. V. Ortiz*, Simulant Molecules with Trivalent or Pentavalent Phosphorus Atoms: Bond Dissociation Energies and Other Thermodynamic and Structural Properties from Quantum Chemical Models , J. Phys. Chem. A115, 8532-9 (2011). Request reprint. DOI:10.1021/jp2036247

S. Zein and J. V. Ortiz*, Interpretation of the photoelectron spectra of superalkali species: Li3O and Li3O-, J. Chem. Phys. 135, 164307/1-9 (2011). Request reprint. Copyright 2011 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. .

D. Hahn, K. RaghuVeer and J. V. Ortiz*, Computational Tests of Models for Kinetic Parameters of Unimolecular Reactions of Organophosphorus and Organosulfur Compounds, J. Phys. Chem. A 115, 14143-52 (2011). Request reprint. DOI:10.1021/jp206344r