41 Publications (Page 2 of 2)
2012
Valence XPS, IR, and C13 NMR spectral analysis of 6 polymers by quantum chemical calculations
Endo, Kazunaka⋅Ida, Tomonori⋅Shimada, Shingo⋅Ortiz, Joseph Vincent⋅Deguchi, Kenzo⋅Shimizu, Tadashi and Yamada, Kazuhiko
Journal of Molecular Structure, vol. 1027, pp. 30, 2012-11-14. | Journal Article
2011
Computational tests of models for kinetic parameters of unimolecular reactions of organophosphorus and organosulfur compounds.
Hahn, David K⋅RaghuVeer, Krishans S and Ortiz, J V
The journal of physical chemistry. A, vol. 115, (no. 49), pp. 14143-14152, December 15, 2011. | Journal Article
 
Electron propagator and coupled-cluster calculations on the photoelectron spectra of thiouracil and dithiouracil anions.
Dolgounitcheva, O⋅Zakrzewski, V G and Ortiz, Joseph V
The Journal of chemical physics, vol. 134, (no. 7), pp. 074305, 2011/Feb/21. | Journal Article
 
Simulant molecules with trivalent or pentavalent phosphorus atoms: bond dissociation energies and other thermodynamic and structural properties from quantum chemical models.
Hahn, David K⋅RaghuVeer, Krishans S and Ortiz, Joseph V
The journal of physical chemistry. A, vol. 115, (no. 30), pp. 8532-9, 2011/Aug/4. | Journal Article
2010
Computational tests of quantum chemical models for structures, vibrational frequencies, and heats of formation of molecules with phosphorus and sulfur atoms.
Hahn, David K⋅RaghuVeer, Krishans S and Ortiz, J V
The journal of physical chemistry. A, vol. 114, (no. 31), pp. 8142-8155, August 12, 2010. | Journal Article
 
Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion.
Canuto, Sylvio⋅Coutinho, Kaline R⋅Cabral, Benedito J⋅Zakrzewski, V G and Ortiz, Joseph V
The Journal of chemical physics, vol. 132, (no. 21), pp. 214507, 2010/Jun/7. | Journal Article
2009
Integral approximations in ab initio, electron propagator calculations.
Flores-Moreno, Roberto and Ortiz, Joseph V
The Journal of chemical physics, vol. 131, (no. 12), pp. 124110, 2009/Sep/28. | Journal Article
2008
New insights in the photochromic spiro-dihydroindolizine/betaine-system
Shrestha, Tej B⋅Shrestha, Tej B⋅Melin, Junia⋅Melin, Junia⋅Liu, Yao⋅Liu, Yao⋅Dolgounitcheva, Olga⋅Dolgounitcheva, Olga⋅Zakrzewski, Viatcheslav G⋅Zakrzewski, Viatcheslav G⋅Pokhrel, Megh Raj⋅Pokhrel, Megh R⋅Gogritchiani, Eliso⋅Gogritchiani, Eliso⋅Ortiz, Joseph V⋅Ortiz, Joseph Vincent⋅Turró, Claudia⋅Turro, Claudia⋅Bossmann, Stefan H and Bossmann, Stefan
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, vol. 7, (no. 12), pp. 1456, 2008-Dec. | Journal Article
 
Second-order, two-electron Dyson propagator theory: Comparisons for vertical double ionization potentials.
Ida, T and Ortiz, Joseph V
The Journal of chemical physics, vol. 129, (no. 8), pp. 084105, 2008/Aug/28. | Journal Article
2007
Assessment of transition operator reference states in electron propagator calculations.
Flores-Moreno, Roberto⋅Zakrzewski, V G and Ortiz, Joseph V
The Journal of chemical physics, vol. 127, (no. 13), pp. 134106, 2007/Oct/7. | Journal Article
 
OH(3) (-) and O(2)H(5) (-) double Rydberg anions: predictions and comparisons with NH(4) (-) and N(2)H(7) (-).
Melin, Junia and Ortiz, Joseph V
The Journal of chemical physics, vol. 127, (no. 1), pp. 014307, 2007/Jul/7. | Journal Article
 
Removing Electrons Can Increase the Electron Density:  A Computational Study of Negative Fukui Functions
Melin, Junia⋅Melin, Junia⋅Ayers, Paul W⋅Ayers, Paul W⋅Ortiz, Joseph V and Ortiz, Joseph Vincent
The Journal of Physical Chemistry A, vol. 111, (no. 40), pp. 10019, 20071011. | Journal Article
2006
Base and Phosphate Electron Detachment Energies of Deoxyribonucleotide Anions
Zakjevskii, VV⋅King, SJ⋅Dolgounitcheva, O.⋅Zakrzewski, VG and Ortiz, Joseph V
Journal of the American Chemical Society, vol. 128, (no. 41), pp. 13350-13351, 2006. | Journal Article
2005
Electron propagator calculations show that alkyl substituents alter porphyrin ionization energies.
Dolgounitcheva, O⋅Zakrzewski, V G and Ortiz, Joseph V
Journal of the American Chemical Society, vol. 127, (no. 23), pp. 8240-1, 2005/Jun/15. | Journal Article
2004
Electron propagator theory calculations of molecular photoionization cross sections: the first-row hydrides.
Seabra, G M⋅Seabra, G.M.⋅Kaplan, I.G.⋅Kaplan, I G⋅Zakrzewski, V G⋅Zakrzewski, V.G.⋅Ortiz, Joseph V and Ortiz, J.V.
The Journal of chemical physics, vol. 121, (no. 9), pp. 4143-55, 2004/Sep/1. | Journal Article
1981
PROPAGATOR CALCULATIONS ON MOLECULAR IONIZATION AND EXCITATION PROCESSES (Dissertation)
Ortiz, Joseph V (1981).