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  • Articles  (62)
  • Articles: DFG German National Licenses  (62)
  • Wiley-Blackwell  (60)
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  • Articles  (62)
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  • 1
    Electronic Resource
    Electronic Resource
    Ecotone delimitation: Epigean–hypogean transition in cave ecosystems (2004)
    Oxford, UK : Blackwell Science Pty
    Austral ecology 29 (2004), S. 0 
    Details
    ISSN: 1442-9993
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Biology
    Notes: Abstract  The ecotone zone between epigean and hypogean environments has been delimited for two limestone caves using a new method proposed herein. The richness and the diversity of the ecotone, epigean and hypogean environments and their similarities have also been determined. The ecotones were delimited using a similarity matrix between the inner and outer sectors of each cave. The ecotone of Dona Rita's cave was estimated to be 12 m long and the ecotone of Retiro's cave 16 m. The richness (S) of arthropods in Dona Rita's cave was higher in the ecotone (S = 131), intermediate in the epigean environment (S = 75) and lower in the hypogean system (S = 45). The invertebrate diversity (H′) was lower in the hypogean environment (H′ = 2.89) and not statistically different between the epigean environment and the ecotone (H′ = 3.56 and H′ = 3.76, respectively). The richness in Retiro's cave was higher in the ecotone (S = 86), intermediate in the epigean environment (S = 39) and lower in the hypogean system (S = 12). The invertebrate diversity was lower in the hypogean environment (H′ = 0.48), intermediate in the ecotone (H′ = 3.02) and higher in the epigean region (H′ = 3.29). Species migration patterns, differential environmental barriers and determination of accidental versus trogloxenes/troglophylous species are topics that are primarily approached by establishing ecotone zones in caves. The aim of the present paper is to establish the delimitation of theses zones.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1442-9993.2004.01373.x
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  • 2
    Electronic Resource
    Electronic Resource
    Do feral house mice have an impact on invertebrate communities on sub-Antarctic Marion Island? (2004)
    Oxford, UK : Blackwell Science Pty
    Austral ecology 29 (2004), S. 0 
    Details
    ISSN: 1442-9993
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Biology
    Notes: Abstract  House mice (Mus domesticus L.) have been present on sub-Antarctic Marion Island since the early 1800s. Several authors have suggested that an increase in mice density as a result of a general warming trend in the sub-Antarctic climate from the 1960s has led to a decline in invertebrate biomass and abundance. These suggestions have been supported by the observation that the invertebrates of nearby mouse-free Prince Edward Island are apparently larger and more numerous than on Marion. Our experiment was designed to determine whether mice have a direct effect on invertebrate abundance, biomass and community structure, or an effect on the vegetation community and thus potentially an indirect effect on invertebrates. We constructed five wire-mesh mouse-free exclosures in one habitat type on Marion Island and recorded both the soil macro-invertebrate community and the vegetation inside and outside each of the exclosures before the start of the experiment in 1996 and twice thereafter (1998 and 2000). Mice had no significant effect on any of the eight prey groups' abundance or biomass, or on community structure (diversity and composition). Four of the prey groups changed significantly over time in either biomass or abundance, independent of the presence of mice. Our results, which may have been affected by generally low statistical power, suggest that factors other than mice had a larger impact on invertebrates than mice alone.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1442-9993.2004.01341.x
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  • 3
    Electronic Resource
    Electronic Resource
    Self-Consistent APW-k · p method. I. Theory (1981)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 19 (1981), S. 681-691 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A first principles method based on an APW-k · p band structure calculation is derived in order to obtain the self-consistent eigenenergies, crystal potential, and electronic density. The simplicity and extensions of the method are discussed, including comparison with the results obtained by the use of the Chadi and Cohen special points technique.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560190419
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  • 4
    Electronic Resource
    Electronic Resource
    Self-Consistent APW-k · p method. II. Application to NaCl (1981)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 20 (1981), S. 933-949 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The self-consistent APW-k · p method is utilized to obtain the band structure of NaCl in the “muffin-tin” approximation. Qe have investigated the convergence of many intermediate results, e.g., crystalline potential, matrix elements of the momentum operator, and energy eigenvalues at the Γ point. The summation in reciprocal space, included in the definition of the matrix D of the theory, is performed by direct sum and also by a special points technique. For the convergence criteria used, the results converged after five iterations.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560200417
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  • 5
    Electronic Resource
    Electronic Resource
    Electronic aspects of enzymatic catalysisWork supported in part by CNPq and FINEP (Brazilian Government Agencies). (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 537-545 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Enzymes are large aperiodic structures and this hinders both ab initio molecular orbital and Bloch-type band theory of calculations. A frontier orbital perturbation theory of catalysis is applied to enzymes. Reasons are given for proposing that the induced-fit conformational changes, essential to enzymatic catalysis, leads to an increase in the electronic eigenvalue density at the active site, enhancing the necessary catalytic orbital perturbation.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220306
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  • 6
    Electronic Resource
    Electronic Resource
    The hydrogen molecule for a two-dimensional system (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 375-379 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The two-dimensional (2D) energy of the hydrogen molecule is carried out by the Heitler-London method. The 2D integrals (which are more localized compared to 3D ones) are performed in the light of the 3D Slater integrals. A discussion of such 2D systems is briefly outlined for doped semiconductors.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270402
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  • 7
    Electronic Resource
    Electronic Resource
    Application of the variational cellular method to semiconductors: The ZnS caseThis work was supported by FAPESP, CNPq, and FINEP, Brazilian agencies. (1986)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 30 (1986), S. 313-323 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We have developed a new version of the variational cellular method for the calculation of the electronic structure of polyatomic systems. It is a very attractive method for large systems, such as solids and large molecules, and capable of giving calculated results with a degree of precision at least as good as those obtained by Hartree-Fock calculations. We are now improving the method by the introduction of crystalline boundary conditions with the intention to apply it to the study of impurities in semiconductors. The results for the ZnS clusters simulating the pure crystal show that the method leads to a fairly consistent description of the bulk electronic structure.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560300729
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  • 8
    Electronic Resource
    Electronic Resource
    Madeiranes, a New Class of Pentacyclic Triterpenes: D-Friedo-madeir-14-en-3β-ol and -3-one, D:C-Friedomadeir-7-en-3β-ol and -3-oneDedicated to Prof. Dr.Albert Eschenmoser on the occasion of his 66th birthday (1991)
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 74 (1991), S. 1329-1338 
    Details
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The pentacyclic triterpenes 1a, b and 2a, b are isolated from extracts of Euphorbia mellifera Arr. Their structures, determined by X-ray analysis, are supported in part by MS, NMR, and IR data. The skeleton differs from that of representatives of the lupane or hopane class by (i) an unusual arrangement of the substituents in the cyclopentane ring E, the Me group being on C(19) and the i-Pr group in an angular position on C(17), and (ii) a cis D/E ring junction. We propose to name Die unknown pentacyclic parent ‘madeirane’, thus 1a, b and 2a, b are D-friedomadeir-14-ene and D:C-friedomadeir-7-ene derivatives. The biosynthesis of these compounds may be rationalized via ‘spirodammaranol’-cation intermediates 5 and 5′ and madeiranol cation 6, as outlined in Scheme 2.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/hlca.19910740622
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  • 9
    Electronic Resource
    Electronic Resource
    Study of the muffin-tin approximation in the multiple-scattering method (1979)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 16 (1979), S. 1021-1031 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We consider the effects of a non-muffin-tin charge density in the multiple-scattering method. The study is carried out by means of a parametrized electronic density, which is used in a variational expression for the energy of the molecular system. We show that, at least in two situations, the parametrized density reproduces the true density very well. In a numerical study of the electronic configuration of the CH4 molecule, we show that the non-muffin-tin density may shift the one-electron energies by as much as 1 eV and the total energy by as much as 1 Ry.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560160508
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  • 10
    Electronic Resource
    Electronic Resource
    Interacting donors in the optical absorption of semiconductors (1988)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 34 (1988), S. 21-24 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A theoretical prediction of the absorption coefficients of shallow donor pairs in uncompensated doped semiconductors has been performed within the framework of the Alternant Molecular Orbital method. The interaction between the lattice and the electronic excitation is well understood in terms of the Frank-Condon model. Calculations for the value of the electron-LO phonon interaction parameter S have been extended to include the donor pair excitation. The model has been applied for Si:P and Ge:P.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560340806
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