Publications of J. V. Ortiz
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
ACS Articles on Request
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
ACS Articles on Request
|