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Person(s): Fiske, Susan T.; Gilbert, Daniel T.; Lindzey, GardnerType of Medium: UnknownEdition: e-BookURL: Language: English -
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Publication Date: 2024-01-12Description: This study examined the impacts of Nigerian Television Authority (NTA) reportage on Abeokuta residents' opinion of corruption in Buhari's administrations (2015-2023). The objectives were to find out the level of Abeokuta residents' awareness of NTA reportage on corruption in Buhari's administration; examine Abeokuta residents' opinion of NTA's objectivity in reporting corruption during Buhari's administration and ascertain Abeokuta residents' opinion on the impacts of NTA’s corruption reportage in Buhari's administration. The Agenda setting theory was the theoretical framework. Survey served as research design while questionnaire was the instrument for data collection. The researchers found that NTA's corruption reportage during Buhari's administration had both positive and negative impacts. The positive impacts include increased pressure on the government to curb corruption, strengthened anti-corruption agencies, and recovery of stolen funds. Based on the findings, it was recommended among other things that the media should give more attention to the issue of corruption to set the agenda for the public to focus on this important issue and that this can be achieved by increasing the frequency and depth of coverage of corruption-related issues.Keywords: Publizistische Medien, Journalismus,Verlagswesen ; News media, journalism, publishing ; Muhammadu Buhari; Nigerian Television Authority (NTA) ; Wirkungsforschung, Rezipientenforschung ; Impact Research, Recipient Research ; Fernsehen ; Berichterstattung ; Reportage ; Korruption ; öffentliche Meinung ; Nigeria ; Westafrika ; television ; reporting ; news report ; corruption ; public opinion ; West Africa ; 10800Type: Zeitschriftenartikel, journal article -
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Type of Medium: articlePublication Date: 2009Keywords: Schule ; Finanzausgleich ; Finanzierung ; Steuer ; Räumliche Verteilung ; USAIn: The journal of real estate finance and economics, Bd. 39 (2009) H. 3, S. 264-283, 0895-5638Language: English -
4Latest Papers from Table of Contents or Articles in PressAnja Müller; Bernd Gillissen; Antje Richter; Anja Richter; Cindrilla Chumduri; Peter T. Daniel; Christian W. Scholz
Nature Publishing Group (NPG)
Published 2018Staff ViewPublication Date: 2018-03-09Publisher: Nature Publishing Group (NPG)Electronic ISSN: 2041-4889Topics: BiologyMedicinePublished by: -
5Latest Papers from Table of Contents or Articles in PressL. A. Rocha ; A. Aleixo ; G. Allen ; F. Almeda ; C. C. Baldwin ; M. V. Barclay ; J. M. Bates ; A. M. Bauer ; F. Benzoni ; C. M. Berns ; M. L. Berumen ; D. C. Blackburn ; S. Blum ; F. Bolanos ; R. C. Bowie ; R. Britz ; R. M. Brown ; C. D. Cadena ; K. Carpenter ; L. M. Ceriaco ; P. Chakrabarty ; G. Chaves ; J. H. Choat ; K. D. Clements ; B. B. Collette ; A. Collins ; J. Coyne ; J. Cracraft ; T. Daniel ; M. R. de Carvalho ; K. de Queiroz ; F. Di Dario ; R. Drewes ; J. P. Dumbacher ; A. Engilis, Jr. ; M. V. Erdmann ; W. Eschmeyer ; C. R. Feldman ; B. L. Fisher ; J. Fjeldsa ; P. W. Fritsch ; J. Fuchs ; A. Getahun ; A. Gill ; M. Gomon ; T. Gosliner ; G. R. Graves ; C. E. Griswold ; R. Guralnick ; K. Hartel ; K. M. Helgen ; H. Ho ; D. T. Iskandar ; T. Iwamoto ; Z. Jaafar ; H. F. James ; D. Johnson ; D. Kavanaugh ; N. Knowlton ; E. Lacey ; H. K. Larson ; P. Last ; J. M. Leis ; H. Lessios ; J. Liebherr ; M. Lowman ; D. L. Mahler ; V. Mamonekene ; K. Matsuura ; G. C. Mayer ; H. Mays, Jr. ; J. McCosker ; R. W. McDiarmid ; J. McGuire ; M. J. Miller ; R. Mooi ; R. D. Mooi ; C. Moritz ; P. Myers ; M. W. Nachman ; R. A. Nussbaum ; D. O. Foighil ; L. R. Parenti ; J. F. Parham ; E. Paul ; G. Paulay ; J. Perez-Eman ; A. Perez-Matus ; S. Poe ; J. Pogonoski ; D. L. Rabosky ; J. E. Randall ; J. D. Reimer ; D. R. Robertson ; M. O. Rodel ; M. T. Rodrigues ; P. Roopnarine ; L. Ruber ; M. J. Ryan ; F. Sheldon ; G. Shinohara ; A. Short ; W. B. Simison ; W. F. Smith-Vaniz ; V. G. Springer ; M. Stiassny ; J. G. Tello ; C. W. Thompson ; T. Trnski ; P. Tucker ; T. Valqui ; M. Vecchione ; E. Verheyen ; P. C. Wainwright ; T. A. Wheeler ; W. T. White ; K. Will ; J. T. Williams ; G. Williams ; E. O. Wilson ; K. Winker ; R. Winterbottom ; C. C. Witt
American Association for the Advancement of Science (AAAS)
Published 2014Staff ViewPublication Date: 2014-05-24Publisher: American Association for the Advancement of Science (AAAS)Print ISSN: 0036-8075Electronic ISSN: 1095-9203Topics: BiologyChemistry and PharmacologyComputer ScienceMedicineNatural Sciences in GeneralPhysicsKeywords: Animals ; Biology/*methods ; Classification/*methods ; *Endangered Species ; *Extinction, BiologicalPublished by: -
6Articles: DFG German National LicensesMonofluorinated hydrogen sulfide (HFS): A definitive theoretical prediction of the infrared spectrumCrawford, T. Daniel ; Burton, Neil A. ; Schaefer, Henry F.
College Park, Md. : American Institute of Physics (AIP)
Published 1992Staff ViewISSN: 1089-7690Source: AIP Digital ArchiveTopics: PhysicsChemistry and PharmacologyNotes: High-level ab initio quantum-mechanical methods have been used to study the HFS molecule. The most advanced method involves a triple-zeta plus double polarization plus f functions (TZ2P+f) basis set in conjunction with the single- and double-excitation coupled-cluster method perturbatively including connected triple excitations, i.e., CCSD(T). Two of the three fundamental vibrational frequencies are in decided disagreement with experiment.Type of Medium: Electronic ResourceURL: -
7Articles: DFG German National LicensesCrawford, T. Daniel ; Schaefer, Henry F.
College Park, Md. : American Institute of Physics (AIP)
Published 1993Staff ViewISSN: 1089-7690Source: AIP Digital ArchiveTopics: PhysicsChemistry and PharmacologyNotes: The coupled-cluster method including all single and double excitations (CCSD) and CCSD including perturbatively applied triple excitations [CCSD(T)] have been used with large basis sets to study the rotational constants and associated geometrical parameters of the C˜ 2A2 state of NO2. The results compare favorably to earlier theoretical work but remain in conflict with recent optical–optical double resonance spectroscopic results.Type of Medium: Electronic ResourceURL: -
8Articles: DFG German National LicensesThomas, J. Russell ; DeLeeuw, Bradley J. ; Vacek, George ; Crawford, T. Daniel ; Yamaguchi, Yukio ; Schaefer, Henry F.
College Park, Md. : American Institute of Physics (AIP)
Published 1993Staff ViewISSN: 1089-7690Source: AIP Digital ArchiveTopics: PhysicsChemistry and PharmacologyNotes: Analytic gradient methods have been used to predict the equilibrium geometries, dipole moments, harmonic vibrational frequencies, and infrared (IR) intensities of HCN, HNC, CO2, CH4, NH4+, HCCH, H2O, H2CO, NH3, and FCCH at the self-consistent-field (SCF), the single and double excitations configuration interaction (CISD), the single and double excitations coupled-cluster (CCSD), and the single, double, and perturbative triple excitations coupled-cluster [CCSD(T)] levels of theory. All studies were performed using a triple zeta plus double polarization (TZ2P) basis set and a TZ2P basis set augmented with one set of higher angular momentum functions [TZ (2df,2pd)]. The predicted equilibrium geometries, dipole moments, harmonic vibrational frequencies, and IR intensities were compared to available experimental values. The geometries were predicted accurately at the highest levels of theory. Most of the dipole moments were found to agree favorably with experiment. With the TZ2P basis set, the average absolute errors in harmonic vibrational frequencies with respect to experiment were 9.9%, 3.8%, 1.5%, and 2.3% for the SCF, CISD, CCSD, and CCSD(T) methods, respectively. With the TZ(2df,2pd) basis set, the four methodologies yielded average absolute errors of 10.3%, 6.3%, 3.7%, and 2.2%, respectively. When the absolute errors for bending modes of triply bonded molecules and the a1 umbrella mode of NH3 were excluded from the previous two sets of averages, the TZ2P average errors became 7.3% (SCF), 3.0% (CISD), 1.1% (CCSD), and 1.1% [CCSD(T)], and the TZ(2df,2pd) average errors became 7.4% (SCF), 3.5% (CISD), 1.5% (CCSD), and 0.6% [CCSD(T)]. Theoretical IR intensities were generally close to given experimental values. Among the eight methodologies investigated in this research, the TZ2P CCSD and the TZ(2df,2pd) CCSD(T) methods exhibited the best balance between theoretical method and basis set quality. This "balance'' was evident in the simultaneous prediction of the most accurate values overall for the molecular properties compared.Type of Medium: Electronic ResourceURL: -
9Articles: DFG German National LicensesCrawford, T. Daniel ; Springer, Kristen W. ; Schaefer, Henry F.
College Park, Md. : American Institute of Physics (AIP)
Published 1995Staff ViewISSN: 1089-7690Source: AIP Digital ArchiveTopics: PhysicsChemistry and PharmacologyNotes: Three stationary points of symmetry C3v, C2v, and Oh on the potential energy surface of XeF6 have been located and characterized at the self-consistent field level of theory with a large basis set. At this level of theory, and contrary to results given earlier in the literature, two of these stationary points (C2v and Oh) are determined to be transition states, with harmonic vibrational frequencies leading to the third stationary point (C3v). In addition, second-order Møller–Plesset perturbation theory, configuration interaction, and coupled-cluster energies have been determined at each of these optimized geometries. The C3v structure is predicted to lie lowest, followed by the C2v and then the Oh structure. © 1995 American Institute of Physics.Type of Medium: Electronic ResourceURL: -
10Articles: DFG German National LicensesCrawford, T. Daniel ; Schaefer, Henry F.
College Park, Md. : American Institute of Physics (AIP)
Published 1996Staff ViewISSN: 1089-7690Source: AIP Digital ArchiveTopics: PhysicsChemistry and PharmacologyNotes: An analysis of molecular properties is presented for several first-row diatomic molecules as determined at the CCSD(T) level of theory. In particular, a comparison of spectroscopic constants predicted by the ROHF-CCSD(T) methods of Scuseria vs Gauss et al. is given. Accurate determination of the values of equilibrium bond lengths, dissociation energies, harmonic vibrational frequencies, anharmonic constants, vibration–rotation coupling constants, and centrifugal distortion constants show only small differences between the two methods. In particular, we show that the average absolute differences between the two methods for the equilibrium bond length, harmonic vibrational frequency, and the dissociation energy are 0.000 09 A(ring), 0.8 cm−1 and 0.1 kcal/mol, respectively. © 1996 American Institute of Physics.Type of Medium: Electronic ResourceURL: -
11Articles: DFG German National LicensesWesolowski, Steve S. ; Crawford, T. Daniel ; Fermann, Justin T. ; Schaefer, Henry F.
College Park, Md. : American Institute of Physics (AIP)
Published 1996Staff ViewISSN: 1089-7690Source: AIP Digital ArchiveTopics: PhysicsChemistry and PharmacologyNotes: Ab initio studies of the aluminum monocarbonyl species AlCO and AlOC have been performed to predict the geometries, fragmentation energies, and harmonic vibrational frequencies. Both species were optimized at the self-consistent field, configuration interaction, and coupled-cluster levels of theory with large basis sets. At the highest level of theory, AlCO was found to be 22 kcal/mol more stable than the isocarbonyl, AlOC. Al–CO was found to have a dissociation energy of 9 kcal/mol, with no barrier to dissociation to Al and CO fragments. Al–OC was found to have a dissociation energy of −13 kcal/mol with an energy barrier to dissociation of less than 5 kcal/mol. The dipole moment of AlCO is found to be small (around 0.1 D), while that of AlOC is significantly larger (around 2.8 D). The C–O harmonic vibrational frequencies were evaluated at all levels of theory. For AlCO at the highest level of theory, the C–O frequency was 1914 cm−1 compared to the experimental value of 1868 cm−1, a 2.5% difference which may be attributed largely to anharmonic effects. The C–O frequency for AlOC is remarkably close to a tentative and disputed experimental spectral feature. © 1996 American Institute of Physics.Type of Medium: Electronic ResourceURL: -
12Articles: DFG German National LicensesFermann, Justin T. ; Sherrill, C. David ; Crawford, T. Daniel ; Schaefer, Henry F.
College Park, Md. : American Institute of Physics (AIP)
Published 1994Staff ViewISSN: 1089-7690Source: AIP Digital ArchiveTopics: PhysicsChemistry and PharmacologyNotes: Benchmark studies of H6, H+7, and H+5⋅He were initiated in order to develop more efficient theoretical methods for describing the electron correlation energy, due to the relative ease with which the full configuration interaction (full CI) results could be obtained for these six-electron systems. Single-point energies which approach the quality of the full CI results are reported for a variety of coupled-cluster (CC) and configuration interaction (CI) methods using optimized basis sets and full CI optimized geometries. Emphasis is placed on multireference CI (MRCI) methods. By carefully limiting the configurations included in the CI and by using CI natural orbitals, we find it possible to reduce the number of configuration state functions (CSFs) by two orders of magnitude or more with little loss in the correlation energy recovered for the six-electron systems studied here. To judge the applicability of the MRCI methods to the study of potential energy surfaces, the energies of H2O at three geometries are compared to previously published full CI and complete active space self-consistent-field (CASSCF) second-order CI (SOCI) results. Finally, we propose a compact MRCI wave function incorporating limited triple and quadruple excitations. Indirect tests suggest that this new approach should be highly effective.Type of Medium: Electronic ResourceURL: -
13Articles: DFG German National LicensesCrawford, T. Daniel ; Schaefer, Henry F. ; Lee, Timothy J.
College Park, Md. : American Institute of Physics (AIP)
Published 1996Staff ViewISSN: 1089-7690Source: AIP Digital ArchiveTopics: PhysicsChemistry and PharmacologyNotes: A number of recently proposed single-reference open-shell perturbation theories based on a spin-restricted open-shell Hartree-Fock reference function are examined, with an emphasis on a consistent formalism within which the theories may be compared. In particular, the effect of unitary transformations among the molecular orbitals on the energy is discussed. Of the seven different perturbation theories examined here, the restricted Møller–Plesset theory, open-shell perturbation theory method 1, the method of Hubac and Cársky, Z-averaged perturbation theory, and invariant open-shell perturbation theory methods are found to be invariant to all types of rotations for which the reference wave function is unaffected, though all are invariant to transformations of a more limited nature. Explicit equations for the generalized invariant forms of each perturbation theory are presented, in order to provide working equations for extension of the theories to local correlation schemes or coupled-cluster perturbational corrections, among others. © 1996 American Institute of Physics.Type of Medium: Electronic ResourceURL: -
14Articles: DFG German National LicensesCrawford, T. Daniel ; Stanton, John F.
College Park, Md. : American Institute of Physics (AIP)
Published 2000Staff ViewISSN: 1089-7690Source: AIP Digital ArchiveTopics: PhysicsChemistry and PharmacologyNotes: Brueckner coupled cluster (B–CC) methods have seen a considerable rise in popularity over the last decade thanks, in part, to their apparent propensity for avoiding artifactual symmetry-breaking problems that sometimes plague Hartree–Fock-based approaches. Recent B–CC applications to problematic systems such as the tetraoxygen cation have provided encouraging examples of the success of this theory. In the present work, we examine the performance of the Brueckner technique for a number of other well-known symmetry-breaking problems, including the formyloxyl radical, the first excited state of NO2 and the nitrate radical. In these cases, B–CC methods are found to fail dramatically, predicting broken-symmetry equilibrium geometries in conflict with experimental and/or higher-level theoretical results. A framework is developed which indicates that these errors can be attributed to artificially exaggerated second-order Jahn–Teller interactions with nearby electronic states. Hence, in spite of their initial successes, Brueckner methods cannot be considered a panacea for symmetry-breaking problems. © 2000 American Institute of Physics.Type of Medium: Electronic ResourceURL: -
15Articles: DFG German National LicensesWesolowski, Steven S. ; Johnson, Eric M. ; Leininger, Matthew L. ; Crawford, T. Daniel ; Schaefer, Henry F.
College Park, Md. : American Institute of Physics (AIP)
Published 1998Staff ViewISSN: 1089-7690Source: AIP Digital ArchiveTopics: PhysicsChemistry and PharmacologyNotes: Previous ab initio studies of the X˜ 2A′H2PO radical have reported dramatically differing P–O bond distances when using spin-restricted wave functions predicting two artifactual isomers of H2PO: a singly bonded oxygen-centered radical and a doubly bonded phosphorus-centered radical. We show that large basis sets coupled with high levels of dynamical electron correlation are required to correctly describe the P–O bond in H2PO as well as the unpaired electron density as evidenced by the Fermi contact terms and anisotropic components of the 31P, 1H, and 17O hyperfine splitting (hfs) constants. The optimized geometry, harmonic vibrational frequencies, and hfs constants of H2PO were determined at several coupled-cluster levels of theory using both spin-restricted (ROHF) and spin-unrestricted (UHF) Hartree–Fock reference wave functions. The geometrical parameters at the coupled-cluster level with single, double, and perturbatively applied triple substitutions [CCSD(T)] using Dunning's correlation consistent polarized valence quadruple-ζ basis set (cc-pVQZ) are r(P–O)=1.492 Å; r(P–H)=1.410 Å; (angle)(HPH)=102.63°; (angle)(HPO)=114.92°. These are in excellent agreement with those derived from recent gas phase microwave data, with the surprising exception of the P–H distance which deviates 0.02 Å from experiment. The value of the P–O harmonic stretching frequency at the CCSD(T) level within the cc-pVQZ basis set is 1190 cm−1, in good agreement with the experimental fundamental frequency of 1147 cm−1 obtained by Withnall and Andrews and in constrast to previous speculation that this experimental band may have been misassigned. Hyperfine splitting constants determined at the TZ2P(f,d)/UHF-CCSD(T) level are in very good agreement with experimental values with an average deviation of 23 MHz. © 1998 American Institute of Physics.Type of Medium: Electronic ResourceURL: -
16Articles: DFG German National LicensesWesolowski, Steve S. ; Fermann, Justin T. ; Crawford, T. Daniel ; Schaefer III, Henry F.
College Park, Md. : American Institute of Physics (AIP)
Published 1997Staff ViewISSN: 1089-7690Source: AIP Digital ArchiveTopics: PhysicsChemistry and PharmacologyNotes: Ab initio studies of dinitrogen tetroxide (N2O4) have been performed to predict the equilibrium geometry, harmonic vibrational frequencies, and fragmentation energy (N2O4→2 NO2). The structure was optimized at the self-consistent field, configuration interaction, and coupled-cluster levels of theory with large basis sets. At the highest level of theory, the N–N bond distance was 1.752 Å, in excellent agreement with the experimental value of 1.756±0.01 Å. In addition, the harmonic vibrational frequencies were predicted with an average absolute error of 51 cm−1 relative to experimental fundamental values with differences largely attributed to anharmonic effects. The fragmentation energy corrected for zero point vibrational energy and basis set superposition error was 7.2 kcal/mol, in fair agreement with the experimental value of 12.7 kcal/mol. Despite the suggestion that a multireference wavefunction may be necessary to accurately describe the biradical nature of N2O4, single reference treatments with large basis sets and high levels of electron correlation yield molecular parameters remarkably close to experimental values.© 1997 American Institute of Physics.Type of Medium: Electronic ResourceURL: -
17Articles: DFG German National LicensesStaff View
ISSN: 1089-7690Source: AIP Digital ArchiveTopics: PhysicsChemistry and PharmacologyNotes: The effects of Hartree–Fock orbital instabilities on force constant predictions at both Hartree–Fock and correlated levels of theory are investigated. Due to the quadratic dependence of the second derivative of correlated energies on the orbital rotation parameters, anomalous force constant singularities enveloped by "instability volcanoes" are given by the single-reference correlation methods examined here. Infinite-order coupled-cluster methods are indeed affected by the reference instability, but over a rather small region of the potential surface, whereas perturbative triples corrections tend to widen the coupled-cluster volcano. Finite-order many-body perturbation theory yields very wide volcanoes, and corresponding predictions of vibrational spectra may be seriously compromised if the geometry of interest lies at all in the vicinity of an instability in the reference determinant. © 1997 American Institute of Physics.Type of Medium: Electronic ResourceURL: -
18Articles: DFG German National LicensesStaff View
ISSN: 1089-7690Source: AIP Digital ArchiveTopics: PhysicsChemistry and PharmacologyNotes: The theory of spin-restricted Brueckner orbitals for high-spin open-shell coupled-cluster wavefunctions is presented. The orbitals are based on single-excitation amplitudes constructed using the symmetric spin–orbital basis coupled-cluster method of Jayatilaka and Lee. It is shown how this approach may be easily implemented within existing open-shell coupled-cluster programs. The method's performance is compared to conventional spin-unrestricted Brueckner orbitals for C˜ 2A2 NO2 and X˜ 2A2′ NO3, for which instabilities in the Hartree–Fock reference determinant cause serious difficulties for highly correlated wavefunctions. © 1997 American Institute of Physics.Type of Medium: Electronic ResourceURL: -
19Articles: DFG German National LicensesStaff View
ISSN: 1089-7690Source: AIP Digital ArchiveTopics: PhysicsChemistry and PharmacologyNotes: The geometry and harmonic vibrational frequencies of the the C˜ 2A2 electronic state of nitrogen dioxide have been determined using coupled cluster (CC) theory in conjunction with large basis sets. The minimum energy C2v-constrained N–O bond distance predicted by the highest level of theory is significantly shorter than the experimentally inferred value, and it is unlikely that further refinement in the theoretical treatment would reduce the discrepancy. However, this work suggests that a prevailing assumption of C2v symmetry may be incorrect; the equilibrium structure of the C˜ state may instead have Cs symmetry. In addition, and contrary to expectation, CC calculations based on variationally optimal spin-unrestricted or spin-restricted reference determinants give qualitatively different results for this system, unless very high levels of electron correlation are included in the calculation. © 1997 American Institute of Physics.Type of Medium: Electronic ResourceURL: -
20Articles: DFG German National LicensesStaff View
ISSN: 1089-7690Source: AIP Digital ArchiveTopics: PhysicsChemistry and PharmacologyNotes: A new approach to the noniterative inclusion of the effects of connected triple excitations in the coupled cluster singles and doubles (CCSD) model is presented. The method is based on the recently developed Z-averaged perturbation theory, and reduces to the usual Møller-Plesset-based triples correction in the absence of open shells. This new correction maintains the same invariance properties as those of the CCSD energy, and requires storage of only one-third the number of two-electron integrals as more conventional corrections. The derivation and implementation of the equations are described, and the method's performance relative to more conventional triples corrections is assessed via benchmark calculations for a series of diatomic molecules. © 1997 American Institute of Physics.Type of Medium: Electronic ResourceURL: