| Year |
Citation |
Score |
| 2022 |
Opoku E, Pawłowski F, Ortiz JV. Double Rydberg anions, Rydberg radicals and micro-solvated cations with ammonium-water kernels. Physical Chemistry Chemical Physics : Pccp. 24: 18347-18360. PMID 35880699 DOI: 10.1039/d2cp02570a |
0.843 |
|
| 2021 |
Opoku E, Pawłowski F, Ortiz JV. Electron binding energies and Dyson orbitals of OH clusters: Double Rydberg anions, Rydberg radicals, and micro-solvated hydronium cations. The Journal of Chemical Physics. 154: 234304. PMID 34241254 DOI: 10.1063/5.0053297 |
0.842 |
|
| 2021 |
Pawłowski F, Ortiz JV. Ionization Energies and Dyson Orbitals of the Iso-electronic SO, O, and S Molecules from Electron Propagator Calculations. The Journal of Physical Chemistry. A. PMID 33886321 DOI: 10.1021/acs.jpca.1c01759 |
0.593 |
|
| 2020 |
Ortiz JV, Zalik RA. Eigenvalues of uncorrelated, density-difference matrices and the interpretation of Δ-self-consistent-field calculations. The Journal of Chemical Physics. 153: 114122. PMID 32962381 DOI: 10.1063/5.0019542 |
0.41 |
|
| 2020 |
Ortiz JV. Dyson-orbital concepts for description of electrons in molecules. The Journal of Chemical Physics. 153: 070902. PMID 32828082 DOI: 10.1063/5.0016472 |
0.641 |
|
| 2020 |
Liu G, Díaz-Tinoco M, Ciborowski SM, Martinez-Martinez C, Lyapustina S, Hendricks JH, Ortiz JV, Bowen KH. Excess electrons bound to HS trimer and tetramer clusters. Physical Chemistry Chemical Physics : Pccp. 22: 3273-3280. PMID 32003384 DOI: 10.1039/C9Cp06872D |
0.841 |
|
| 2020 |
Pawłowski F, Ortiz JV. Relativistic electron detachment energies and spin–orbit splittings from quasiparticle electron propagator calculations Molecular Physics. 118. DOI: 10.1080/00268976.2019.1700314 |
0.579 |
|
| 2019 |
Díaz-Tinoco M, Ortiz JV. Dyson Orbitals and Double Rydberg Anions: Methylated, Annulated, and Paramagnetic. The Journal of Physical Chemistry. A. 123: 10961-10967. PMID 31794215 DOI: 10.1021/Acs.Jpca.9B09888 |
0.841 |
|
| 2019 |
Ariyarathna IR, Pawlowski F, Ortiz JV, Miliordos E. Aufbau Principle for Diffuse Electrons of Double-Shell Metal Ammonia Complexes: The Case of M(NH)@12NH, M=Li, Be, B. The Journal of Physical Chemistry. A. PMID 31638812 DOI: 10.1021/Acs.Jpca.9B07734 |
0.501 |
|
| 2019 |
Almeida NMS, Pawłowski F, Ortiz JV, Miliordos E. Transition-metal solvated-electron precursors: diffuse and 3d electrons in V(NH). Physical Chemistry Chemical Physics : Pccp. 21: 7090-7097. PMID 30882119 DOI: 10.1039/C8Cp07420H |
0.521 |
|
| 2019 |
Díaz–Tinoco M, Corzo HH, Pawłowski F, Ortiz JV. Do Dyson Orbitals resemble canonical Hartree–Fock orbitals? Molecular Physics. 117: 2275-2283. DOI: 10.1080/00268976.2018.1535142 |
0.828 |
|
| 2019 |
Díaz-Tinoco M, Ortiz JV. Double Rydberg anions with solvated ammonium kernels: Electron binding energies and Dyson orbitals The Journal of Chemical Physics. 151: 054301. DOI: 10.1063/1.5113614 |
0.845 |
|
| 2019 |
Díaz-Tinoco M, Ortiz J. Carborane superhalide bases and their conjugate Brønsted-Lowry Superacids: Electron binding energies and Dyson orbitals Chemical Physics. 521: 77-84. DOI: 10.1016/J.Chemphys.2019.01.024 |
0.856 |
|
| 2018 |
Díaz-Tinoco M, Corzo HH, Ortiz JV. Electron Propagator Methods for Vertical Electron Detachment Energies of Anions: Benchmarks and Case Studies. Journal of Chemical Theory and Computation. 14: 5881-5895. PMID 30252474 DOI: 10.1021/Acs.Jctc.8B00736 |
0.862 |
|
| 2018 |
Ariyarathna IR, Pawłowski F, Ortiz JV, Miliordos E. Molecules mimicking atoms: monomers and dimers of alkali metal solvated electron precursors. Physical Chemistry Chemical Physics : Pccp. PMID 30209476 DOI: 10.1039/C8Cp05497E |
0.522 |
|
| 2018 |
Corzo HH, Velasco AM, Lavín C, Ortiz JV. MgH Rydberg series: Transition energies from electron propagator theory and oscillator strengths from the molecular quantum defect orbital method Journal of Quantitative Spectroscopy & Radiative Transfer. 206: 323-327. DOI: 10.1016/J.Jqsrt.2017.12.003 |
0.578 |
|
| 2017 |
Ariyarathna IR, Khan SN, Pawlowski F, Ortiz JV, Miliordos E. Aufbau Rules for Solvated Electron Precursors: Be(NH3)40,± Complexes and Beyond. The Journal of Physical Chemistry Letters. PMID 29232138 DOI: 10.1021/Acs.Jpclett.7B03000 |
0.569 |
|
| 2017 |
Pavošević F, Peng C, Ortiz JV, Valeev EF. Communication: Explicitly correlated formalism for second-order single-particle Green's function. The Journal of Chemical Physics. 147: 121101. PMID 28964023 DOI: 10.1063/1.5000916 |
0.343 |
|
| 2017 |
Hirata S, Doran AE, Knowles PJ, Ortiz JV. One-particle many-body Green's function theory: Algebraic recursive definitions, linked-diagram theorem, irreducible-diagram theorem, and general-order algorithms. The Journal of Chemical Physics. 147: 044108. PMID 28764347 DOI: 10.1063/1.4994837 |
0.34 |
|
| 2017 |
Baiardi A, Paoloni L, Barone V, Zakrzewski VG, Ortiz JV. Assessment of electron propagator methods for the simulation of vibrationally-resolved valence and core photoionization spectra. Journal of Chemical Theory and Computation. PMID 28521087 DOI: 10.1021/Acs.Jctc.6B00958 |
0.765 |
|
| 2017 |
Velasco AM, Lavín C, Díaz-Tinoco M, Ortiz JV. CaH Rydberg Series, Oscillator Strengths and Photoionization Cross Sections from Molecular Quantum Defect and Dyson Orbital Theories Journal of Quantitative Spectroscopy & Radiative Transfer. 187: 161-166. DOI: 10.1016/J.Jqsrt.2016.09.024 |
0.814 |
|
| 2017 |
Ortiz JV. Interpreting Bonding and Spectra With Correlated, One-Electron Concepts From Electron Propagator Theory Annual Reports in Computational Chemistry. 13: 139-182. DOI: 10.1016/Bs.Arcc.2017.06.002 |
0.602 |
|
| 2016 |
Dolgounitcheva O, Díaz-Tinoco M, Zakrzewski VG, Richard RM, Marom N, Sherrill CD, Ortiz JV. Correction to Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods. Journal of Chemical Theory and Computation. PMID 27982593 DOI: 10.1021/Acs.Jctc.6B01180 |
0.836 |
|
| 2016 |
Díaz-Tinoco M, Ortiz JV. Comment on "Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands" [J. Chem. Phys. 140, 094301 (2014)]. The Journal of Chemical Physics. 145: 147101. PMID 27782508 DOI: 10.1063/1.4964502 |
0.814 |
|
| 2016 |
Díaz-Tinoco M, Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Composite electron propagator methods for calculating ionization energies. The Journal of Chemical Physics. 144: 224110. PMID 27305999 DOI: 10.1063/1.4953666 |
0.832 |
|
| 2016 |
Díaz-Tinoco M, Ortiz JV. Comment on: "Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2 (CN)5 ](-1) Anions" by Li et al. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 17: 2945-6. PMID 27304667 DOI: 10.1002/Cphc.201600519 |
0.798 |
|
| 2016 |
Díaz-Tinoco M, Ortiz JV. Comment on "Is the regulation of the electronic properties of organic molecules by polynuclear superhalogens more effective than that by mononuclear superhalogens? A high-level ab initio case study" by M.-M. Li, J.-F. Li, H.-C. Bai, Y.-Y. Sun, J.-L. Li and B. Yin, Phys. Chem. Chem. Phys., 2015, 17, 20338. Physical Chemistry Chemical Physics : Pccp. PMID 27194225 DOI: 10.1039/C6Cp01897A |
0.791 |
|
| 2016 |
Knight JW, Wang X, Gallandi L, Dolgounitcheva O, Ren X, Ortiz JV, Rinke P, Körzdörfer T, Marom N. Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods. Journal of Chemical Theory and Computation. PMID 26731609 DOI: 10.1021/Acs.Jctc.5B00871 |
0.806 |
|
| 2016 |
Richard RM, Marshall MS, Dolgounitcheva O, Ortiz JV, Bredas JL, Marom N, Sherrill CD. Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules I. Reference Data at the CCSD(T) Complete Basis Set Limit. Journal of Chemical Theory and Computation. PMID 26731487 DOI: 10.1021/Acs.Jctc.5B00875 |
0.51 |
|
| 2016 |
Dolgounitcheva O, Diaz-Tinoco M, Zakrzewski VG, Richard RM, Marom N, Sherrill CD, Ortiz JV. Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods. Journal of Chemical Theory and Computation. PMID 26730459 DOI: 10.1021/Acs.Jctc.5B00872 |
0.85 |
|
| 2016 |
Corzo HH, Ortiz JV. Electron propagators based on generalised density operators Molecular Physics. 115: 545-551. DOI: 10.1080/00268976.2016.1221534 |
0.835 |
|
| 2016 |
Corzo HH, Krosser JM, Galano A, Ortiz JV. Numerical test of SAC-CI methods for calculating vertical ionization energies Theoretical Chemistry Accounts. 135. DOI: 10.1007/S00214-016-1988-4 |
0.408 |
|
| 2015 |
Hirata S, Hermes MR, Simons J, Ortiz JV. General-Order Many-Body Green's Function Method. Journal of Chemical Theory and Computation. 11: 1595-606. PMID 26574369 DOI: 10.1021/Acs.Jctc.5B00005 |
0.528 |
|
| 2015 |
Kletsov AA, Glukhovskoy EG, Chumakov AS, Ortiz JV. Ab initio electron propagator calculations of transverse conduction through DNA nucleotide bases in 1-nm nanopore corroborate third generation sequencing. Biochimica Et Biophysica Acta. 1860: 140-145. PMID 26525735 DOI: 10.1016/J.Bbagen.2015.10.013 |
0.35 |
|
| 2015 |
Corzo HH, Galano A, Dolgounitcheva O, Zakrzewski VG, Ortiz JV. NR2 and P3+: Accurate, Efficient Electron-Propagator Methods for Calculating Valence, Vertical Ionization Energies of Closed-Shell Molecules. The Journal of Physical Chemistry. A. 119: 8813-21. PMID 26226061 DOI: 10.1021/Acs.Jpca.5B00942 |
0.484 |
|
| 2014 |
Velasco AM, Lavín C, Dolgounitcheva O, Ortiz JV. Excitation energies, photoionization cross sections, and asymmetry parameters of the methyl and silyl radicals. The Journal of Chemical Physics. 141: 074308. PMID 25149787 DOI: 10.1063/1.4892584 |
0.466 |
|
| 2014 |
Corzo HH, Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Valence-bound and diffuse-bound anions of 5-azauracil. The Journal of Physical Chemistry. A. 118: 6908-13. PMID 25102270 DOI: 10.1021/Jp505307M |
0.631 |
|
| 2014 |
Pérez-González A, Galano A, Ortiz JV. Vertical ionization energies of free radicals and electron detachment energies of their anions: a comparison of direct and indirect methods versus experiment. The Journal of Physical Chemistry. A. 118: 6125-31. PMID 25036292 DOI: 10.1021/Jp505276N |
0.544 |
|
| 2014 |
Zakrzewski VG, Dolgounitcheva O, Ortiz JV. Electron propagator calculations on the ground and excited states of C60(-). The Journal of Physical Chemistry. A. 118: 7424-9. PMID 24813804 DOI: 10.1021/Jp412813M |
0.555 |
|
| 2014 |
Hahn DK, RaghuVeer K, Ortiz JV. Computational tests of quantum chemical models for excited and ionized states of molecules with phosphorus and sulfur atoms. The Journal of Physical Chemistry. A. 118: 3514-24. PMID 24779512 DOI: 10.1021/Jp502462W |
0.736 |
|
| 2013 |
Díaz-Tinoco M, Romero J, Ortiz JV, Reyes A, Flores-Moreno R. A generalized any-particle propagator theory: prediction of proton affinities and acidity properties with the proton propagator. The Journal of Chemical Physics. 138: 194108. PMID 23697410 DOI: 10.1063/1.4805030 |
0.808 |
|
| 2013 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Assignment of photoelectron spectra of halide-water clusters: contrasting patterns of delocalization in Dyson orbitals. The Journal of Chemical Physics. 138: 164317. PMID 23635148 DOI: 10.1063/1.4802251 |
0.487 |
|
| 2013 |
Beste A, Vázquez-Mayagoitia Á, Ortiz JV. Direct ΔMBPT(2) method for ionization potentials, electron affinities, and excitation energies using fractional occupation numbers. The Journal of Chemical Physics. 138: 074101. PMID 23444991 DOI: 10.1063/1.4790626 |
0.415 |
|
| 2013 |
Chen J, Buonaugurio A, Dolgounitcheva O, Zakrzewski VG, Bowen KH, Ortiz JV. Photoelectron spectroscopy of the 6-azauracil anion. The Journal of Physical Chemistry. A. 117: 1079-82. PMID 22724557 DOI: 10.1021/Jp303964J |
0.846 |
|
| 2013 |
Dolgounitcheva O, Zakrzewski V, Streit L, Ortiz J. Microsolvation effects on the electron binding energies of halide anions Molecular Physics. 112: 332-339. DOI: 10.1080/00268976.2013.812756 |
0.548 |
|
| 2013 |
Ortiz JV. Electron propagator theory: An approach to prediction and interpretation in quantum chemistry Wiley Interdisciplinary Reviews: Computational Molecular Science. 3: 123-142. DOI: 10.1002/Wcms.1116 |
0.597 |
|
| 2012 |
Streit L, Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Valence and diffuse-bound anions of noble-gas complexes with uracil. The Journal of Chemical Physics. 137: 194310. PMID 23181309 DOI: 10.1063/1.4766735 |
0.843 |
|
| 2012 |
Zein S, Ortiz JV. Interpretation of the photoelectron spectra of superalkali species: Na3O and Na3O-. The Journal of Chemical Physics. 136: 224305. PMID 22713045 DOI: 10.1063/1.4728073 |
0.354 |
|
| 2012 |
Endo K, Ida T, Shimada S, Ortiz JV, Deguchi K, Shimizu T, Yamada K. Valence XPS, IR, and C13 NMR spectral analysis of 6 polymers by quantum chemical calculations Journal of Molecular Structure. 1027: 20-30. DOI: 10.1016/J.Molstruc.2012.05.051 |
0.379 |
|
| 2012 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Electron detachment energies of aqueous and cluster halide anions from electron propagator calculations with the polarizable continuum model International Journal of Quantum Chemistry. 112: 3840-3848. DOI: 10.1002/Qua.24254 |
0.593 |
|
| 2012 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Electronic structure of a beryllium half-sandwich complex, Be(η5
-C5
H5
) International Journal of Quantum Chemistry. 112: 2981-2985. DOI: 10.1002/Qua.24180 |
0.605 |
|
| 2011 |
Hahn DK, RaghuVeer KS, Ortiz JV. Computational tests of models for kinetic parameters of unimolecular reactions of organophosphorus and organosulfur compounds. The Journal of Physical Chemistry. A. 115: 14143-52. PMID 22050308 DOI: 10.1021/Jp206344R |
0.693 |
|
| 2011 |
Zein S, Ortiz JV. Interpretation of the photoelectron spectra of superalkali species: Li3O and Li3O-. The Journal of Chemical Physics. 135: 164307. PMID 22047239 DOI: 10.1063/1.3636082 |
0.314 |
|
| 2011 |
Hahn DK, RaghuVeer KS, Ortiz JV. Simulant molecules with trivalent or pentavalent phosphorus atoms: bond dissociation energies and other thermodynamic and structural properties from quantum chemical models. The Journal of Physical Chemistry. A. 115: 8532-9. PMID 21714520 DOI: 10.1021/Jp2036247 |
0.708 |
|
| 2011 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Electron propagator and coupled-cluster calculations on the photoelectron spectra of thiouracil and dithiouracil anions. The Journal of Chemical Physics. 134: 074305. PMID 21341842 DOI: 10.1063/1.3555179 |
0.631 |
|
| 2011 |
Zakrzewski VG, Dolgounitcheva O, Zakjevskii AV, Ortiz JV. Ab initio Electron Propagator Calculations on Electron Detachment Energies of Fullerenes, Macrocyclic Molecules, and Nucleotide Fragments Advances in Quantum Chemistry. 62: 105-136. DOI: 10.1016/B978-0-12-386477-2.00009-7 |
0.613 |
|
| 2011 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Ab initio electron propagator calculations on electron detachment energies of nickel phthalocyanine tetrasulfonate tetraanions International Journal of Quantum Chemistry. 112: 184-194. DOI: 10.1002/Qua.23216 |
0.613 |
|
| 2011 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Delocalization of Dyson orbitals in F−(H2O) and Cl−(H2O) International Journal of Quantum Chemistry. 111: 1701-1708. DOI: 10.1002/Qua.22705 |
0.53 |
|
| 2010 |
Hahn DK, RaghuVeer KS, Ortiz JV. Computational tests of quantum chemical models for structures, vibrational frequencies, and heats of formation of molecules with phosphorus and sulfur atoms. The Journal of Physical Chemistry. A. 114: 8142-55. PMID 20617805 DOI: 10.1021/Jp104576F |
0.659 |
|
| 2010 |
Canuto S, Coutinho K, Cabral BJ, Zakrzewski VG, Ortiz JV. Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion. The Journal of Chemical Physics. 132: 214507. PMID 20528031 DOI: 10.1063/1.3431081 |
0.449 |
|
| 2010 |
Öhrn Y, Ortiz JV. The electron propagator Molecular Physics. 108: 2871-2875. DOI: 10.1080/00268976.2010.498390 |
0.402 |
|
| 2010 |
Zakrzewski VG, Dolgounitcheva O, Zakjevskii AV, Ortiz JV. Ab Initio Electron Propagator Methods: Applications to Fullerenes and Nucleic Acid Fragments Annual Reports in Computational Chemistry. 6: 79-94. DOI: 10.1016/S1574-1400(10)06006-8 |
0.607 |
|
| 2010 |
Zakrzewski VG, Dolgounitcheva O, Zakjevskii AV, Ortiz JV. Ab initio electron propagator methods: Applications to nucleic acids fragments and metallophthalocyanines International Journal of Quantum Chemistry. 110: 2918-2930. DOI: 10.1002/Qua.22836 |
0.54 |
|
| 2009 |
Flores-Moreno R, Ortiz JV. Integral approximations in ab initio, electron propagator calculations. The Journal of Chemical Physics. 131: 124110. PMID 19791855 DOI: 10.1063/1.3238243 |
0.519 |
|
| 2009 |
Velasco AM, Lavín C, Martín I, Melin J, Ortiz JV. Partial photoionization cross sections of NH4 and H3O Rydberg radicals. The Journal of Chemical Physics. 131: 024104. PMID 19603967 DOI: 10.1063/1.3168397 |
0.359 |
|
| 2009 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Vertical ionization energies of adenine and 9-methyl adenine. The Journal of Physical Chemistry. A. 113: 14630-5. PMID 19594156 DOI: 10.1021/Jp904392Z |
0.522 |
|
| 2009 |
Ortiz JV, Weiner B, Öhrn Y. The AGP wavefunction and its relation to other descriptions of electronic structure International Journal of Quantum Chemistry. 20: 113-128. DOI: 10.1002/QUA.560200812 |
0.338 |
|
| 2009 |
Singh RK, Ortiz JV, Mishra MK. Tautomeric forms of adenine: Vertical ionization energies and Dyson orbitals International Journal of Quantum Chemistry. 110: 1901-1915. DOI: 10.1002/Qua.22363 |
0.551 |
|
| 2009 |
Zakrzewski VG, Dolgounitcheva O, Ortiz JV. Strong correlation effects in the electron binding energies of phthalocyanine International Journal of Quantum Chemistry. 109: 3619-3625. DOI: 10.1002/Qua.22360 |
0.571 |
|
| 2009 |
Flores-Moreno R, Melin J, Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Three approximations to the nonlocal and energy-dependent correlation potential in electron propagator theory International Journal of Quantum Chemistry. 110: 706-715. DOI: 10.1002/Qua.22131 |
0.636 |
|
| 2008 |
Flores-Moreno R, Melin J, Ortiz JV, Merino G. Efficient evaluation of analytic Fukui functions. The Journal of Chemical Physics. 129: 224105. PMID 19071905 DOI: 10.1063/1.3036926 |
0.767 |
|
| 2008 |
Zakrzewski VG, Dolgounitcheva O, Ortiz JV. Electron propagator calculations on C60 and C70 photoelectron spectra. The Journal of Chemical Physics. 129: 104306. PMID 19044912 DOI: 10.1063/1.2976789 |
0.514 |
|
| 2008 |
Ida T, Ortiz JV. Second-order, two-electron Dyson propagator theory: Comparisons for vertical double ionization potentials. The Journal of Chemical Physics. 129: 084105. PMID 19044816 DOI: 10.1063/1.2973533 |
0.381 |
|
| 2008 |
Shrestha TB, Melin J, Liu Y, Dolgounitcheva O, Zakrzewski VG, Pokhrel MR, Gogritchiani E, Ortiz JV, Turró C, Bossmann SH. New insights in the photochromic spiro-dihydroindolizine/betaine-system. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. 7: 1449-56. PMID 19037496 DOI: 10.1039/B814151G |
0.773 |
|
| 2008 |
Martínez A, Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Nonconventional hydrogen bonds: a theoretical study of [uracil-L](-) (L = F, Cl, Br, I, Al, Ga, In) complexes. The Journal of Physical Chemistry. A. 112: 10399-404. PMID 18798605 DOI: 10.1021/Jp804946W |
0.435 |
|
| 2008 |
Flores-Moreno R, Ortiz JV. Quasiparticle virtual orbitals in electron propagator calculations. The Journal of Chemical Physics. 128: 164105. PMID 18447419 DOI: 10.1063/1.2902288 |
0.589 |
|
| 2008 |
Dolgounitcheva O, Flores-Moreno R, Zakrzewski VG, Ortiz JV. Virtual space reduction in quasi-particle electron propagator calculations: Applications to polycyclic aromatic hydrocarbons International Journal of Quantum Chemistry. 108: 2862-2869. DOI: 10.1002/Qua.21821 |
0.515 |
|
| 2007 |
Guevara-García A, Martínez A, Ortiz JV. Electron binding energies and Dyson orbitals of Al5Om- (m=3,4,5) and Al5O5H2-. The Journal of Chemical Physics. 127: 234302. PMID 18154377 DOI: 10.1063/1.2806845 |
0.409 |
|
| 2007 |
Melin J, Singh RK, Mishra MK, Ortiz JV. Tautomeric forms of azolide anions: vertical electron detachment energies and Dyson orbitals. The Journal of Physical Chemistry. A. 111: 13069-74. PMID 18001010 DOI: 10.1021/jp075496m |
0.861 |
|
| 2007 |
Flores-Moreno R, Zakrzewski VG, Ortiz JV. Assessment of transition operator reference states in electron propagator calculations. The Journal of Chemical Physics. 127: 134106. PMID 17919010 DOI: 10.1063/1.2784638 |
0.489 |
|
| 2007 |
Melin J, Ayers PW, Ortiz JV. Removing electrons can increase the electron density: a computational study of negative Fukui functions. The Journal of Physical Chemistry. A. 111: 10017-9. PMID 17880054 DOI: 10.1021/Jp075573D |
0.834 |
|
| 2007 |
Melin J, Ortiz JV. OH(3) (-) and O(2)H(5) (-) double Rydberg anions: predictions and comparisons with NH(4) (-) and N(2)H(7) (-). The Journal of Chemical Physics. 127: 014307. PMID 17627346 DOI: 10.1063/1.2741558 |
0.824 |
|
| 2007 |
Kletsov A, Dahnovsky Y, Ortiz JV. Surface Green's function calculations: a nonrecursive scheme with an infinite number of principal layers. The Journal of Chemical Physics. 126: 134105. PMID 17430014 DOI: 10.1063/1.2713743 |
0.383 |
|
| 2007 |
Guevara-García A, Martínez A, Ortiz JV. Sequential addition of H2O, CH3OH, and NH3 to Al3O3-: a theoretical study. The Journal of Chemical Physics. 126: 024309. PMID 17228956 DOI: 10.1063/1.2409293 |
0.551 |
|
| 2007 |
Ortiz JV. Electron propagator theory and the development of chemical intuition Aip Conference Proceedings. 963: 238-240. DOI: 10.1063/1.2836050 |
0.477 |
|
| 2007 |
Sterling MR, Dolgounitcheva O, Zakrzewski V, Dahnovsky Y, Ortiz JV. Correlated,ab initio electron propagators in the study of molecular wires: Application to a single molecular bridge placed between two model leads International Journal of Quantum Chemistry. 107: 3228-3235. DOI: 10.1002/QUA.21502 |
0.356 |
|
| 2007 |
Zakjevskii VV, Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Electron propagator studies of vertical electron detachment energies and isomerism in purinic deoxyribonucleotides International Journal of Quantum Chemistry. 107: 2266-2273. DOI: 10.1002/QUA.21330 |
0.473 |
|
| 2006 |
Melin J, Mishra MK, Ortiz JV. Electronic structure analysis and electron detachment energies of polynitrogen pentagonal aromatic anions. The Journal of Physical Chemistry. A. 110: 12231-5. PMID 17078619 DOI: 10.1021/Jp0632743 |
0.85 |
|
| 2006 |
Zakjevskii VV, King SJ, Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Base and phosphate electron detachment energies of deoxyribonucleotide anions. Journal of the American Chemical Society. 128: 13350-1. PMID 17031935 DOI: 10.1021/Ja064621P |
0.85 |
|
| 2006 |
Vázquez MV, Martínez A, Dolgounitcheva O, Ortiz JV. Deprotonated cytosine anions: a theoretical prediction of photoelectron spectra. The Journal of Physical Chemistry. A. 110: 11174-7. PMID 16986852 DOI: 10.1021/Jp062721B |
0.616 |
|
| 2006 |
Guevara-García A, Martínez A, Ortiz JV. Are structures with Al-H bonds represented in the photoelectron spectrum of Al3O4H2-? The Journal of Chemical Physics. 124: 214304. PMID 16774404 DOI: 10.1063/1.2189858 |
0.502 |
|
| 2006 |
Dahnovsky Y, Ortiz JV. Ab initio electron propagator theory of molecular wires. II. Multiorbital terminal description. The Journal of Chemical Physics. 124: 144114. PMID 16626187 DOI: 10.1063/1.2187973 |
0.5 |
|
| 2006 |
Dolgounitcheva O, Zakrzewski VG, Sterling MR, Kletsov A, Dahnovsky Y, Ortiz JV. Correlated ab initio electron propagators in the study of molecular wires International Journal of Quantum Chemistry. 106: 3387-3392. DOI: 10.1002/Qua.21125 |
0.474 |
|
| 2005 |
Seabra GM, Kaplan IG, Ortiz JV. Molecular photoionization cross sections in electron propagator theory: angular distributions beyond the dipole approximation. The Journal of Chemical Physics. 123: 114105. PMID 16392549 DOI: 10.1063/1.2043087 |
0.489 |
|
| 2005 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Ab initio electron propagator calculations on the ionization energies of free base porphine, magnesium porphyrin, and zinc porphyrin. The Journal of Physical Chemistry. A. 109: 11596-601. PMID 16354052 DOI: 10.1021/Jp0538060 |
0.587 |
|
| 2005 |
Dahnovsky Y, Zakrzewski VG, Kletsov A, Ortiz JV. Ab initio electron propagator theory of molecular wires. I. Formalism. The Journal of Chemical Physics. 123: 184711. PMID 16292925 DOI: 10.1063/1.2121447 |
0.462 |
|
| 2005 |
Tiznado WA, Fuentealba P, Ortiz JV. Pseudopotential and electron propagator methods for the calculation of the photoelectron spectra of anionic silicon clusters: predictions on Si10-. The Journal of Chemical Physics. 123: 144314. PMID 16238398 DOI: 10.1063/1.2048506 |
0.457 |
|
| 2005 |
Melin J, Ortiz JV, Martín I, Velasco AM, Lavín C. Ground and excited states of the Rydberg radical H3O: electron propagator and quantum defect analysis. The Journal of Chemical Physics. 122: 234317. PMID 16008451 DOI: 10.1063/1.1926286 |
0.837 |
|
| 2005 |
Guevara-García A, Martínez A, Ortiz JV. Addition of water, methanol, and ammonia to Al3O3- clusters: reaction products, transition states, and electron detachment energies. The Journal of Chemical Physics. 122: 214309. PMID 15974740 DOI: 10.1063/1.1926279 |
0.539 |
|
| 2005 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Electron propagator calculations show that alkyl substituents alter porphyrin ionization energies. Journal of the American Chemical Society. 127: 8240-1. PMID 15941230 DOI: 10.1021/ja0507721 |
0.49 |
|
| 2005 |
Trofimov AB, Zakrzewski VG, Dolgounitcheva O, Ortiz JV, Sidorkin VF, Belogolova EF, Belogolov M, Pestunovich VA. Silicon-nitrogen bonding in silatranes: assignment of photoelectron spectra. Journal of the American Chemical Society. 127: 986-95. PMID 15656637 DOI: 10.1021/ja045667q |
0.374 |
|
| 2005 |
Melin J, Ayers PW, Ortiz JV. The electron-propagator approach to conceptual density-functional theory Journal of Chemical Sciences. 117: 387-400. DOI: 10.1007/Bf02708342 |
0.404 |
|
| 2005 |
Ortiz JV. An efficient, renormalized self-energy for calculating the electron binding energies of closed-shell molecules and anions International Journal of Quantum Chemistry. 105: 803-808. DOI: 10.1002/Qua.20664 |
0.502 |
|
| 2005 |
Weiner B, Ortiz JV. Correlated one-electron wave functions International Journal of Quantum Chemistry. 104: 299-327. DOI: 10.1002/Qua.20607 |
0.537 |
|
| 2004 |
Seabra GM, Kaplan IG, Zakrzewski VG, Ortiz JV. Electron propagator theory calculations of molecular photoionization cross sections: the first-row hydrides. The Journal of Chemical Physics. 121: 4143-55. PMID 15332961 DOI: 10.1063/1.1773135 |
0.439 |
|
| 2004 |
Tenorio FJ, Murray I, Martinez A, Klabunde KJ, Ortiz JV. Products of the addition of water molecules to Al3O3- clusters: structure, bonding, and electron binding energies in Al3O4H2-, Al3O5H4-, Al3O4H2, and Al3O5H4. The Journal of Chemical Physics. 120: 7955-62. PMID 15267711 DOI: 10.1063/1.1689648 |
0.835 |
|
| 2004 |
Ortiz JV, Martin I, Velasco AM, Lavin C. Ground and excited states of NH4: Electron propagator and quantum defect analysis. The Journal of Chemical Physics. 120: 7949-54. PMID 15267710 DOI: 10.1063/1.1689646 |
0.578 |
|
| 2004 |
Vázquez M, Moussatova A, Martínez A, Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Solvation of Al−Guanine Complexes with NH3: A Theoretical Study The Journal of Physical Chemistry A. 108: 5845-5850. DOI: 10.1021/Jp048778K |
0.508 |
|
| 2004 |
Herrera B, Dolgounitcheva O, Zakrzewski VG, Toro-Labbé A, Ortiz JV. Conformational Effects on Glycine Ionization Energies and Dyson Orbitals The Journal of Physical Chemistry A. 108: 11703-11708. DOI: 10.1021/Jp040307A |
0.772 |
|
| 2004 |
Kambalapalli S, Ortiz JV. Electronic Structure of ScC6H6-and ScC6H6: Geometries, Electron Binding Energies, and Dyson Orbitals† The Journal of Physical Chemistry A. 108: 2988-2992. DOI: 10.1021/JP0312060 |
0.454 |
|
| 2004 |
Ortiz JV. Brueckner orbitals, Dyson orbitals, and correlation potentials International Journal of Quantum Chemistry. 100: 1131-1135. DOI: 10.1002/Qua.20204 |
0.572 |
|
| 2003 |
Kambalapalli S, Ortiz JV. Solvated Succinate Dianion: Structures, Electron Binding Energies, and Dyson Orbitals The Journal of Physical Chemistry A. 107: 10360-10369. DOI: 10.1021/JP030802R |
0.433 |
|
| 2003 |
Moussatova A, Vázquez M, Martínez A, Dolgounitcheva O, Zakrzewski VG, Ortiz JV, Pedersen DB, Simard B. Theoretical Study of the Structure and Bonding of a Metal−DNA Base Complex: Al−Guanine The Journal of Physical Chemistry A. 107: 9415-9421. DOI: 10.1021/Jp030651S |
0.535 |
|
| 2003 |
Martinez A, Tenorio FJ, Ortiz JV. Al3O4 and Al3O4- Clusters: Structure, Bonding, and Electron Binding Energies Cheminform. 34. DOI: 10.1021/Jp0224970 |
0.538 |
|
| 2003 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Ionization Energies and Dyson Orbitals of Cytosine and 1-Methylcytosine The Journal of Physical Chemistry A. 107: 822-828. DOI: 10.1021/JP021996Y |
0.332 |
|
| 2002 |
Ortiz JV. A double Rydberg anion with a hydrogen bond and a solvated double Rydberg anion: Interpretation of the photoelectron spectrum of N2H7- Journal of Chemical Physics. 117: 5748-5756. DOI: 10.1063/1.1499492 |
0.4 |
|
| 2002 |
Kaplan IG, Dolgounitcheva O, Watts JD, Ortiz JV. Nondipole bound anions: Be2− and Be3− Journal of Chemical Physics. 117: 3687-3693. DOI: 10.1063/1.1494801 |
0.563 |
|
| 2002 |
Martínez A, Sansores LE, Salcedo R, Tenorio FJ, Ortiz JV. Al3On and Al3On- (n = 1-3) clusters: Structures, photoelectron spectra, harmonic vibrational frequencies, and atomic charges Journal of Physical Chemistry A. 106: 10630-10635. DOI: 10.1021/Jp0213102 |
0.473 |
|
| 2002 |
Ortiz JV. Ionization energies and dyson orbitals of 1,2-dithiin Journal of Physical Chemistry A. 106: 5924-5927. DOI: 10.1021/jp020530c |
0.458 |
|
| 2002 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Electron binding energies of nucleobases and nucleotides International Journal of Quantum Chemistry. 90: 1547-1554. DOI: 10.1002/QUA.10380 |
0.39 |
|
| 2001 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Electron-propagator calculations on the photoelectron spectrum of ethylene The Journal of Chemical Physics. 114: 130. DOI: 10.1063/1.1328393 |
0.55 |
|
| 2001 |
Martínez A, Tenorio FJ, Ortiz JV. Electronic Structure of Al3Onand Al3On-(n= 1−3) Clusters The Journal of Physical Chemistry A. 105: 8787-8793. DOI: 10.1021/Jp011763R |
0.404 |
|
| 2001 |
Dolgounitcheva O, Zakrzewski aVG, Ortiz JV. Diffuse-Bound and Valence-Bound Anions of Cytosine Journal of Physical Chemistry A. 105: 8782-8786. DOI: 10.1021/Jp0110760 |
0.547 |
|
| 2001 |
Shigeta Y, Ferreira AM, Zakrzewski VG, Ortiz JV. Electron propagator calculations with Kohn–Sham reference states International Journal of Quantum Chemistry. 85: 411-420. DOI: 10.1002/Qua.1543 |
0.504 |
|
| 2000 |
Ortiz JV. Energy gradients and effective density differences in electron propagator theory The Journal of Chemical Physics. 112: 56-68. DOI: 10.1063/1.480561 |
0.382 |
|
| 2000 |
Ortiz JV. Electron Propagator Theory of the Photoelectron Spectrum of Methanesulfenic Acid The Journal of Physical Chemistry A. 104: 11433-11438. DOI: 10.1021/JP0030342 |
0.305 |
|
| 2000 |
Herbert JM, Ortiz JV. Ab Initio Investigation of Electron Detachment in Dicarboxylate Dianions The Journal of Physical Chemistry A. 104: 11786-11795. DOI: 10.1021/Jp002657C |
0.559 |
|
| 2000 |
Hopper H, Lococo M, Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Double-Rydberg anions: Predictions on NH3AHn - and OH2AHn - structures Journal of the American Chemical Society. 122: 12813-12818. DOI: 10.1021/Ja002292+ |
0.578 |
|
| 2000 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Electron Propagator Theory of Guanine and Its Cations: Tautomerism and Photoelectron Spectra Journal of the American Chemical Society. 122: 12304-12309. DOI: 10.1021/JA0015747 |
0.38 |
|
| 2000 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Electron propagator calculations on uracil and adenine ionization energies International Journal of Quantum Chemistry. 80: 831-835. DOI: 10.1002/1097-461X(2000)80:4/5<831::AID-QUA31>3.0.CO;2-W |
0.505 |
|
| 1999 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Ground state and vertical electron detachment energies of icosahedral and D5h Al13− The Journal of Chemical Physics. 111: 10762-10765. DOI: 10.1063/1.480440 |
0.545 |
|
| 1999 |
Dolgounitcheva O, Zakrzewski aVG, Ortiz JV. Anionic and Neutral Complexes of Uracil and Water Journal of Physical Chemistry A. 103: 7912-7917. DOI: 10.1021/Jp991950D |
0.52 |
|
| 1999 |
Ortiz JV. Toward an Exact One-Electron Picture of Chemical Bonding Advances in Quantum Chemistry. 35: 33-52. DOI: 10.1016/S0065-3276(08)60454-2 |
0.489 |
|
| 1999 |
Dolgounitcheva O, Zakrzewski V, Ortiz J. Structures and electron detachment energies of uracil anions Chemical Physics Letters. 307: 220-226. DOI: 10.1016/S0009-2614(99)00492-3 |
0.554 |
|
| 1999 |
Ortiz JV. Approximate Brueckner orbitals in electron propagator calculations International Journal of Quantum Chemistry. 75: 615-621. DOI: 10.1002/(Sici)1097-461X(1999)75:4/5<615::Aid-Qua27>3.0.Co;2-T |
0.567 |
|
| 1999 |
Zakrzewski VG, Dolgounitcheva O, Ortiz JV. Improved algorithms for renormalized electron propagator calculations International Journal of Quantum Chemistry. 75: 607-614. DOI: 10.1002/(Sici)1097-461X(1999)75:4/5<607::Aid-Qua26>3.0.Co;2-X |
0.436 |
|
| 1998 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Structure, bonding, and energetics of C72− isomers Journal of Chemical Physics. 109: 87-93. DOI: 10.1063/1.476543 |
0.586 |
|
| 1998 |
Ortiz JV. A nondiagonal, renormalized extension of partial third-order quasiparticle theory: Comparisons for closed-shell ionization energies Journal of Chemical Physics. 108: 1008-1014. DOI: 10.1063/1.475463 |
0.554 |
|
| 1998 |
Ortiz J. Single-reference electron propagator calculations on vertical ionization energies of ozone Chemical Physics Letters. 297: 193-199. DOI: 10.1016/S0009-2614(98)01125-7 |
0.6 |
|
| 1998 |
Ortiz J. Electron detachment energies of closed-shell anions calculated with a renormalized electron propagator Chemical Physics Letters. 296: 494-498. DOI: 10.1016/S0009-2614(98)01067-7 |
0.501 |
|
| 1998 |
Ortiz JV. Approximate Brueckner Orbitals And Shakeup Operators In Electron Propagator Calculations : Applications To F- And Oh- International Journal of Quantum Chemistry. 70: 651-658. DOI: 10.1002/(Sici)1097-461X(1998)70:4/5<651::Aid-Qua11>3.0.Co;2-5 |
0.452 |
|
| 1998 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV, Ratovski GV. Electron propagator theory of conformational effects on anisole and thioanisole photoelectron spectra International Journal of Quantum Chemistry. 70: 1037-1043. DOI: 10.1002/(Sici)1097-461X(1998)70:4/5<1037::Aid-Qua51>3.0.Co;2-Z |
0.454 |
|
| 1998 |
Ortiz JV. Second-order shakeup terms in electron propagator calculations on F2 and H2O2 International Journal of Quantum Chemistry. 69: 175-182. DOI: 10.1002/(Sici)1097-461X(1998)69:2<175::Aid-Qua5>3.0.Co;2-S |
0.486 |
|
| 1997 |
Zakrzewski VG, Dolgounitcheva O, Ortiz JV. Ionization energies of benzo[a]pyrene and benzo[e]pyrene The Journal of Chemical Physics. 107: 7906-7911. DOI: 10.1063/1.475103 |
0.582 |
|
| 1997 |
Ohno M, Zakrzewski VG, Ortiz JV, von Niessen W. Theoretical study of the valence ionization energies and electron affinities of linear C2n+1 (n=1–6) clusters The Journal of Chemical Physics. 106: 3258-3269. DOI: 10.1063/1.473064 |
0.402 |
|
| 1997 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Ionization Energies of Acridine, Phenazine, and Diazaphenanthrenes The Journal of Physical Chemistry A. 101: 8554-8564. DOI: 10.1021/Jp971910E |
0.562 |
|
| 1997 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Hydroxide Attack on Acetylene: Theoretical Structures and Energies The Journal of Physical Chemistry A. 101: 1758-1762. DOI: 10.1021/Jp962984D |
0.441 |
|
| 1997 |
Ortiz J, Rohlfing CM. An ab initio study of geometries, polarizabilities, and rotation barriers of polyphenylsilane oligomers Chemical Physics Letters. 280: 239-243. DOI: 10.1016/S0009-2614(97)01108-1 |
0.342 |
|
| 1997 |
Dolgounitcheva O, Zakrzewski VG, Ortiz JV. Comparison of electron propagator methods for calculating electron detachment energies of anions International Journal of Quantum Chemistry. 65: 463-469. DOI: 10.1002/(Sici)1097-461X(1997)65:5<463::Aid-Qua10>3.0.Co;2-4 |
0.604 |
|
| 1996 |
Zakrzewski VG, Dolgounitcheva O, Ortiz JV. Ionization energies of anthracene, phenanthrene, and naphthacene The Journal of Chemical Physics. 105: 8748-8753. DOI: 10.1063/1.472654 |
0.546 |
|
| 1996 |
Zakrzewski VG, Dolgounitcheva O, Ortiz JV. Electron binding energies of TCNQ and TCNE The Journal of Chemical Physics. 105: 5872-5877. DOI: 10.1063/1.472428 |
0.62 |
|
| 1996 |
Ortiz JV, Zakrzewski VG. A test of partial third order electron propagator theory: Vertical ionization energies of azabenzenes The Journal of Chemical Physics. 105: 2762-2769. DOI: 10.1063/1.472138 |
0.533 |
|
| 1996 |
Ortiz JV. Partial third‐order quasiparticle theory: Comparisons for closed‐shell ionization energies and an application to the Borazine photoelectron spectrum The Journal of Chemical Physics. 104: 7599-7605. DOI: 10.1063/1.471468 |
0.556 |
|
| 1996 |
Zakrzewski VG, Ortiz JV. Dichlorobenzene Ionization Energies The Journal of Physical Chemistry. 100: 13979-13984. DOI: 10.1021/Jp960978B |
0.542 |
|
| 1996 |
Zakrzewski V, Ortiz J. Semidirect electron propagator calculations on chlorobenzene ionization energies Journal of Molecular Structure: Theochem. 388: 351-357. DOI: 10.1016/S0166-1280(96)80049-2 |
0.571 |
|
| 1996 |
Zakrzewski VG, Ortiz JV, Nichols JA, Heryadi D, Yeager DL, Golab JT. Comparison of perturbative and multiconfigurational electron propagator methods International Journal of Quantum Chemistry. 60: 29-36. DOI: 10.1002/(Sici)1097-461X(1996)60:1<29::Aid-Qua3>3.0.Co;2-7 |
0.532 |
|
| 1995 |
Ortiz JV. Calculation and interpretation of total energies in electron propagator theory Journal of Chemical Physics. 103: 5630-5639. DOI: 10.1063/1.470545 |
0.581 |
|
| 1995 |
Zakrzewski VG, Ortiz JV. Electron propagator calculations on linear and branched carbon cluster dianions The Journal of Chemical Physics. 102: 294-300. DOI: 10.1063/1.469402 |
0.528 |
|
| 1995 |
Ortiz JV. Contour integrals in electron propagator theory International Journal of Quantum Chemistry. 56: 331-337. DOI: 10.1002/Qua.560560837 |
0.558 |
|
| 1995 |
Zakrzewski VG, Ortiz JV. Semidirect algorithms for third-order electron propagator calculations International Journal of Quantum Chemistry. 53: 583-590. DOI: 10.1002/Qua.560530602 |
0.559 |
|
| 1994 |
Gutowski M, Boldyrev AI, Ortiz JV, Simons J. Vertical Electron Detachment Energies for Octahedral Closed-Shell Multiply-Charged Anions Journal of the American Chemical Society. 116: 9262-9268. DOI: 10.1021/Ja00099A050 |
0.484 |
|
| 1994 |
Zakrzewski V, Ortiz J. Vertical ionization energies of cubane Chemical Physics Letters. 230: 313-316. DOI: 10.1016/0009-2614(94)01147-8 |
0.44 |
|
| 1994 |
Zakrzewski VG, Ortiz JV. Semidirect algorithms in electron propagator calculations International Journal of Quantum Chemistry. 52: 23-27. DOI: 10.1002/Qua.560520806 |
0.491 |
|
| 1993 |
Ortiz JV. Electron propagator theory of BO2and BO−2electronic structure The Journal of Chemical Physics. 99: 6727-6731. DOI: 10.1063/1.465815 |
0.319 |
|
| 1993 |
Ortiz JV, Rohlfing CM. Conformationally induced localization in the electronic structure of polysilanes Macromolecules. 26: 7282-7287. DOI: 10.1021/Ma00078A025 |
0.562 |
|
| 1993 |
Ortiz JV. Bond rotations and localization in the electronic structure of polysilanes Macromolecules. 26: 2989-2991. DOI: 10.1021/MA00063A055 |
0.342 |
|
| 1992 |
Ortiz JV. Electron propagator calculations on the adiabatic electron binding energies of C3 The Journal of Chemical Physics. 97: 7531-7536. DOI: 10.1063/1.463472 |
0.475 |
|
| 1992 |
Cioslowski J, Ortiz JV. One-electron density matrices and energy gradients in second-order electron propagator theory The Journal of Chemical Physics. 96: 8379-8389. DOI: 10.1063/1.462291 |
0.576 |
|
| 1992 |
Ortiz JV, Hay PJ, Martin RL. 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 Journal of the American Chemical Society. 114: 2736-2737. DOI: 10.1021/ja00033a068 |
0.34 |
|
| 1992 |
Ortiz JV. Total energies and energy gradients in electron propagator theory International Journal of Quantum Chemistry. 44: 1-11. DOI: 10.1002/Qua.560440805 |
0.578 |
|
| 1991 |
Ortiz JV. Electron propagator theory of the ground and excited states of CaC5H5 Journal of the American Chemical Society. 113: 3593-3595. DOI: 10.1021/JA00009A057 |
0.32 |
|
| 1991 |
Ortiz JV. Electron propagator theory of bonding in saturated silicon chains Polyhedron. 10: 1285-1297. DOI: 10.1016/S0277-5387(00)86104-5 |
0.522 |
|
| 1991 |
Ortiz JV, Cioslowski J. Molecular similarity indices in electron propagator theory Chemical Physics Letters. 185: 270-275. DOI: 10.1016/S0009-2614(91)85059-6 |
0.52 |
|
| 1991 |
Ortiz JV. Renormalized ground states in electron propagator theory International Journal of Quantum Chemistry. 40: 35-42. DOI: 10.1002/Qua.560400808 |
0.437 |
|
| 1990 |
Ortiz JV. Ground and excited states of CaCH3, CaNH2, CaOH, and CaF through electron propagator calculations The Journal of Chemical Physics. 92: 6728-6731. DOI: 10.1063/1.458257 |
0.389 |
|
| 1990 |
Lin J, Ortiz J. Electron propagator calculations on the ionization energies of CrH−, MnH− and FeH− Chemical Physics Letters. 171: 197-200. DOI: 10.1016/0009-2614(90)85226-3 |
0.547 |
|
| 1990 |
Ortiz JV. Ground and excited states of CaSH through electron propagator calculations Chemical Physics Letters. 169: 116-120. DOI: 10.1016/0009-2614(90)85175-C |
0.356 |
|
| 1990 |
Lin J, Ortiz JV. Electron propagator test of atomic natural orbital basis sets International Journal of Quantum Chemistry. 38: 585-591. DOI: 10.1002/QUA.560382457 |
0.339 |
|
| 1989 |
Ortiz JV. An electron propagator study of bonding in aminoborane Chemical Physics Letters. 156: 489-493. DOI: 10.1016/S0009-2614(89)87317-8 |
0.511 |
|
| 1989 |
Parker EP, Ortiz J. Electron propagator calculations on the discrete spectra of ArH and NeH Chemical Physics Letters. 163: 366-370. DOI: 10.1016/0009-2614(89)85151-6 |
0.448 |
|
| 1988 |
Ortiz JV. Electron binding energies of anionic alkali metal atoms from partial fourth order electron propagator theory calculations The Journal of Chemical Physics. 89: 6348-6352. DOI: 10.1063/1.455401 |
0.458 |
|
| 1988 |
Ortiz JV. Partial fourth order electron propagator theory International Journal of Quantum Chemistry. 34: 431-436. DOI: 10.1002/Qua.560340846 |
0.542 |
|
| 1987 |
Ortiz JV. Applications of electron propagator theory to the electron affinities of AsH2, SeH, Br, SbH2, TeH, and I The Journal of Chemical Physics. 87: 1701-1704. DOI: 10.1063/1.453235 |
0.392 |
|
| 1987 |
Ortiz JV. Vertical and adiabatic ionization energies of NH−4isomers via electron propagator theory and many body perturbation theory calculations with large basis sets The Journal of Chemical Physics. 87: 3557-3562. DOI: 10.1063/1.453000 |
0.374 |
|
| 1987 |
Ortiz JV. Electron affinity calculations on NH−2, PH−2, CN−, SH−, OH−, Cl−, and F−: Basis sets and direct vs indirect methods The Journal of Chemical Physics. 86: 308-312. DOI: 10.1063/1.452619 |
0.433 |
|
| 1987 |
Ortiz JV. Calculations on the vertical and adiabatic ionization energies of (H2S)2 Chemical Physics Letters. 134: 366-370. DOI: 10.1016/0009-2614(87)87154-3 |
0.536 |
|
| 1987 |
Ortiz JV. Direct versus indirect many-body methods for calculating vertical electron affinities: applications to F-, OH-, NH2-, CN-, Cl-, SH- and PH2- Chemical Physics Letters. 136: 387-391. DOI: 10.1016/0009-2614(87)80272-5 |
0.514 |
|
| 1987 |
Ortiz JV. Applying electron propagator theory to electron affinities International Journal of Quantum Chemistry. 32: 469-473. DOI: 10.1002/Qua.560320745 |
0.574 |
|
| 1985 |
ORTIZ JV, HOFFMANN R. ChemInform Abstract: HYDRIDE BRIDGES BETWEEN LNCP2 CENTERS Chemischer Informationsdienst. 16. DOI: 10.1002/Chin.198542053 |
0.453 |
|
| 1984 |
Ortiz JV, Havlas Z, Hoffmann R. Alkyl Shifts between Transition Metals and Coordinated Main Group Atoms Helvetica Chimica Acta. 67: 1-17. DOI: 10.1002/Hlca.19840670102 |
0.666 |
|
| 1984 |
ORTIZ JV, HAVLAS Z, HOFFMANN R. ChemInform Abstract: ALKYL SHIFTS BETWEEN TRANSITION METALS AND COORDINATED MAIN GROUP ATOMS Chemischer Informationsdienst. 15. DOI: 10.1002/Chin.198416254 |
0.667 |
|
| 1983 |
Ortiz J, Basu R, Öhrn Y. Electron-propagator calculations with a transition-operator reference Chemical Physics Letters. 103: 29-34. DOI: 10.1016/0009-2614(83)87067-5 |
0.365 |
|
| Show low-probability matches. |
