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  • 1
    Digitale Medien
    Digitale Medien
    Matrix-isolation-FTIR spectroscopy with an integrating sphere (1988)
    Springer
    Microchimica acta 95 (1988), S. 239-241 
    Details
    ISSN: 1436-5073
    Schlagwort(e): integrating sphere ; matrix isolation ; spectroscopy ; FTIR ; thin films
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The use of an integrating sphere for the measurement of absorption spectra of thin films is described. The thin film (for example a rare gas matrix) is grown directly on the inside surface of the sphere. Multiple reflections inside the integrating sphere lead to significant enhancement of weak absorptions of the film, increasing the sensitivity of such measurements.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01349761
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  • 2
    Digitale Medien
    Digitale Medien
    Characterisation of five novel zebrafish Eph-related receptor tyrosine kinases suggests roles in patterning the neural plate (1997)
    Springer
    Development genes and evolution 206 (1997), S. 515-531 
    Details
    ISSN: 1432-041X
    Schlagwort(e): Key words Eph receptors ; Receptor tyrosine kinases ; Zebrafish ; Neural plate ; Neural patterning
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Biologie
    Notizen: Abstract  Eph-related receptor tyrosine kinases (RTKs) are the largest known subfamily of RTKs, comprising at least a dozen members. Expression studies suggest roles for these genes in patterning and differentiation of the nervous system, the neural crest, developing limbs and somites. Some of the recently isolated family of ligands for Eph-related RTKs have been shown to function as positional identifiers in the retinotectal system. We have previously characterised three Eph-related RTKs in the zebrafish (rtk1-3). Here we report the identification of five new zebrafish Eph-related RTKs (rtk4, rtk5, rtk6, rtk7 and rtk8) and describe their dynamic expression patterns. Based on these expression patterns, we propose that rtk4-8 play various roles in establishing territories within the developing central nervous system (CNS) and in the subsequent differentiation of defined neuronal populations.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/s004270050082
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  • 3
    Digitale Medien
    Digitale Medien
    Erratum (1981)
    Springer
    Theoretical chemistry accounts 60 (1981), S. 201-201 
    Details
    ISSN: 1432-2234
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00550336
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  • 4
    Digitale Medien
    Digitale Medien
    Systematic sequences of even-tempered Gaussian primitives in electron correlation studies using many-body perturbation theory (1980)
    Springer
    Theoretical chemistry accounts 57 (1980), S. 53-61 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Basis set ; Even-tempered basis set ; Universal basis set ; Correlation energy ; Many-body perturbation theory
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The use of systematic sequences of even-tempered Gaussian primitive functions in electron correlation studies using diagrammatic many-body perturbation theory is examined. The “s limit” electronic energy of the Be atom and the ‘sp limit” energy of the Ne atom have been computed as examples. The use of the Hartree extrapolation procedure to obtain empirical upper bounds for the basis set limit is investigated. The empirical lower bound for the basis set limit suggested by Schmidt and Ruedenberg is examined for calculations which include electron correlation.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00547996
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  • 5
    Digitale Medien
    Digitale Medien
    Universal systematic sequence of even-tempered Gaussian primitive functions in electronic correlation studies (1980)
    Springer
    Theoretical chemistry accounts 58 (1980), S. 31-40 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Basis set ; Even-tempered basis set ; Universal basis set ; Correlation energy ; Many-body perturbation theory
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The possibility of developing a universal systematic sequence of eventempered Gaussian primitive functions for atomic and molecular electronic structure studies is examined. The radial beryllium-like ions are used to demonstrate this approach both within the Hartree-Fock model and by including correlation effects. Correlation energies are computed using the diagrammatic many-body perturbation theory. The Hartree extrapolation procedure is used to obtain empirical upper bounds to the basis set limit and the procedure of Schmidt and Ruedenberg is employed to obtain empirical lower bounds for the basis set limit. The convergence properties of the calculations with respect to the size of the basis set are examined.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00635721
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  • 6
    Digitale Medien
    Digitale Medien
    Evaluation of the contribution from triply excited intermediates to the fourth-order perturbation theory energy on Intel distributed memory supercomputers (1993)
    Springer
    Theoretical chemistry accounts 84 (1993), S. 271-287 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Fourth-order triple excitation energy ; Many-body perturbation theory ; Intel distributed memory parallel computers
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Summary Three previously reported algorithms for the evaluation of the fourth-order triple excitation energy component in many-body perturbation theory have been compared. Their implementation on current Intel distributed memory parallel computers has been investigated. None of the algorithms, which were developed for shared memory computer architectures, performed well since they lead to prohibitive IO demands. A new algorithm suitable for distributed memory machines is suggested and its implementation on two Intel i860 supercomputers is described. A high level of parallelism is obtained.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01113267
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  • 7
    Digitale Medien
    Digitale Medien
    Finite-field many-body perturbation theory. Calculations of the dipole polarizability of the fluoride ion using electric-field-variant gaussian-type orbitals (1981)
    Springer
    Theoretical chemistry accounts 60 (1981), S. 19-39 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Many-body perturbation theory ; Finite-field method ; Dipole polarizability ; Electric-field-variant basis set
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The dipole polarizability of the fluoride ion, F−, is calculated using finite-field many-body perturbation theory. The use of electric-field-variant basis sets in such calculations is investigated. Scaling of the zero-order Hamiltonian and the formation of Padé approximants are considered. Empirical and theoretical estimates of the polarizability of F− are compared.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00554384
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  • 8
    Digitale Medien
    Digitale Medien
    On the contribution of higher-order excitations to correlation energies: The ground state of the water molecule (1979)
    Springer
    Theoretical chemistry accounts 54 (1979), S. 83-91 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Higher-order excitations, contribution of ∼ to correlation energies ; Water molecule
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Using the results of a configuration interaction calculation reported by Rosenberg and Shavitt, we derive an approximation to the correlation energy which may be associated with the sum to infinite order of all linked diagrams involving singly- and doubly-excited states. This result is compared with that obtained by calculation of the energy through third-order. The fourth-order linked diagrams involving quadruply-excited states are computed. It is shown that there is a considerable degree of cancellation between the fourth-order linked diagram energy terms involving doubly-excited intermediate states only and those which contain quadruply-excited states.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF02394620
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  • 9
    Digitale Medien
    Digitale Medien
    Many-body perturbation theory for open-shell systems. Expansion through fourth-order (1982)
    Springer
    Theoretical chemistry accounts 61 (1982), S. 343-361 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Many-body perturbation theory ; Electron correlation ; Open-shell systems
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract All of the diagrams which arise in the many-body perturbation theory of open-shell systems using a restricted Hartree-Fock reference function are given through fourth-order in the energy. New effects which arise in fourthorder are discussed.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00550413
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  • 10
    Digitale Medien
    Digitale Medien
    On the contribution of higher-order excitations to correlation energies: The ground state of the water molecule (1979)
    Springer
    Theoretical chemistry accounts 54 (1979), S. 83-91 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Higher-order excitations, contribution of ∼ to correlation energies ; Water molecule
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Using the results of a configuration interaction calculation reported by Rosenberg and Shavitt, we derive an approximation to the correlation energy which may be associated with the sum to infinite order of all linked diagrams involving singly- and doubly-excited states. This result is compared with that obtained by calculation of the energy through third-order. The fourth-order linked diagrams involving quadruply-excited states are computed. It is shown that there is a considerable degree of cancellation between the fourth-order linked diagram energy terms involving doubly-excited intermediate states only and those which contain quadruply-excited states.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00938775
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