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Ortiz Quantum Chemistry Group

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Publications of J. V. Ortiz

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2010

R. Flores-Moreno, J. Melin, O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz*, Three Approximations to the Nonlocal and Energy-Dependent Correlation Potential in Electron Propagator Theory, Int. J. Quantum Chem. 110, 706-15 (2010). Request reprint. DOI:10.1002/qua.22131

R. K. Singh, J. V. Ortiz* and M. K. Mishra*, Tautomeric Forms of Adenine: Vertical Ionization Energies and Dyson Orbitals, Int. J. Quantum Chem. 110, 1901-5 (2010). Request reprint. DOI:10.1002/qua.22363

S. Canuto*, K. Coutinho, B. J. C. Cabral, V. G. Zakrzewski and J. V. Ortiz, Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion, J. Chem. Phys. 132, 214507/1-6 (2010). Request reprint. Copyright 2010 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. G. Zakrzewski, O. Dolgounitcheva, A. V. Zakjevskii and J. V. Ortiz*, Ab initio Electron Propagator Methods: Applications to Fullerenes and Nucleic Acid Fragments, Ann. Rev. Comput. Chem. 6, 79-94 (2010). Request reprint. DOI:10.1016/S1574-1400(10)06006-8

D. Hahn, K. RaghuVeer and J. V. Ortiz*, Computational Tests of Quantum Chemical Models for Structures, Vibrational Frequencies and Heats of Formation of Molecules with Phosphorus and Sulfur Atoms, J. Phys. Chem. A 114, 8142-55 (2010). Request reprint. DOI:10.1021/jp104576f

V. G. Zakrzewski, O. Dolgounitcheva, A. V. Zakjevskii and J. V. Ortiz*, Ab initio Electron Propagator Methods: Applications to Nucleic Acids Fragments and Metallophthalocyanines, Int. J. Quantum Chem. 110, 2918-30 (2010). Request reprint. DOI:10.1002/qua.22836

Y. Öhrn and J. V. Ortiz, The Electron Propagator, Mol. Phys. 108, 2871-5 (2010). Request reprint. DOI:10.1080/00268976.2010.498390