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Ortiz Quantum Chemistry Group

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Publications of J. V. Ortiz

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1992

J. V. Ortiz*, P. J. Hay*, and R. L. Martin, The Role of d and f Orbitals in the Geometries of Low-Valent Actinide Compounds. Ab Initio Studies of U(CH3)3, Np(CH3)3, and Pu(CH3)3, J. Am. Chem. Soc. 114, 2736-7 (1992).

J. Cioslowski* and J. V. Ortiz*, One-Electron Density Matrices and Energy Gradients in Second-Order Electron Propagator Theory, J. Chem. Phys. 96, 8379-89 (1992).
Request reprint. Copyright 1992 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*, Coupled Cluster Reference Electron Propagator Calculations on the Ionization Energies of O2, Chem. Phys. Lett. 199, 530-4 (1992).

J. V. Ortiz*, Total Energies and Energy Gradients in Electron Propagator Theory, Int. J. Quant. Chem., Quant. Chem. Symp. 26, 1-11 (1992).

J. V. Ortiz*, Electron Propagator Calculations on the Adiabatic Electron Binding Energies of C3, J. Chem. Phys. 97, 7531-6 (1992).
Request reprint. Copyright 1992 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.

 

1993

J. V. Ortiz*, Bond Rotations and Localization in the Electronic Structure of Polysilanes, Macromolecules 26, 2989-91 (1993).

J. V. Ortiz*, Improved Electron Propagator Methods: An Investigation of C4, C4-, and C4+, J. Chem. Phys. 99, 6716-26 (1993).
Request reprint. Copyright 1993 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 of BO2 and BO2- Electronic Structure, J. Chem. Phys. 99, 6727-31 (1993).
Request reprint. Copyright 1993 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 of BS2 and BS2- Electronic Structure, Chem. Phys. Lett. 214, 467-72 (1993).

J. V. Ortiz*, A Comparison of Ground State Averages in Electron Propagator Theory, Int. J. Quant. Chem., Quant. Chem. Symp. 27, 407-18 (1993).

J. V. Ortiz* and C. M. Rohlfing, Conformationally Induced Localization in the Electronic Structure of Polysilanes, Macromolecules 26, 7282-7 (1993).

J. V. Ortiz*, Electron Propagator Calculations on the Electron Affinity of C5, Chem. Phys. Lett. 216, 319-23 (1993).