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  • Computational Chemistry and Molecular Modeling  (6)
  • General Chemistry  (2)
  • 1
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 48 (1993), S. 385-397 
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Relativistic quantum defect orbital (RQDO) calculations, with and without explicit account for corevalence correlation, have been performed on several electron transitions in the zinc and cadmium isoelectronic sequences, which are of interest in astrophysics and fusion plasma research. A comparative study with other theoretical results and experimental measurements has also been carried out. © 1993 John Wiley & Sons, Inc.
    Zusätzliches Material: 4 Tab.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 2
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994), S. 411-428 
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The quantum defect orbital (QDO) method and its relativistic (RQDO) counterpart have been employed in this work to compute oscillator strengths for several fine-structure transitions in members of the copper isoelectronic sequence up to Z = 92. The RQDO results are found to be in quite good agreement with the best estimates derived from other sources, whenever the comparison is possible. © 1994 John Wiley & Sons, Inc.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 3
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 48 (1993), S. 723-729 
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Results of a pilot study on the applicability of the quantum defect orbital method for describing electronic transitions between molecular Rydberg states are reported. Oscillator strengths and Einstein emission coefficients for the triatomic hydrogen molecule have been calculated. The results are in good agreement with the data derived from more sophisticated theoretical approaches. © 1993 John Wiley & Sons, Inc.
    Zusätzliches Material: 3 Tab.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 4
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 44 (1992), S. 465-474 
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Transitions originating from excited states in copper-like ions have been studied. Fine-structure oscillator strengths obtained with both the quantum defect orbital (QDO) and its relativistic (RQDO) counterpart are reported for 4p 2P - nd 2D (n = 5, 6), 5p 2P - nd 2D (n = 5, 6), and np 2P - 6s 2S (n = 4, 5 ) absorption transitions. © 1992 John Wiley & Sons, Inc.
    Zusätzliches Material: 4 Tab.
    Materialart: Digitale Medien
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  • 5
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 56 (1995), S. 631-638 
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Oscillator strengths and Einstein emission coefficients for electronic transitions in the Rydberg molecule H3O are reported. The calculations have been performed with the Quantum Defect Orbital (QDO) method, and the results are compared with those of an ab initio procedure. © 1995 John Wiley & Sons, Inc.
    Zusätzliches Material: 5 Tab.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 6
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 44 (1992), S. 455-464 
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The diffuse spectral series, 2s2np2 P-2s2nd2D, of the boron isoelectronic sequence has been studied through a one-particle scheme, by explicitly treating only the active electron. Oscillator strengths for various transitions (n = 2,3; n´ = 3-16) have been computed with the quantum defect and relativistic quantum defect formalisms, and results comparing very satisfactorily with other theoretical data have been obtained. © 1992 John Wiley & Sons, Inc.
    Zusätzliches Material: 6 Tab.
    Materialart: Digitale Medien
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  • 7
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Angewandte Chemie International Edition in English 27 (1988), S. 1405-1405 
    ISSN: 0570-0833
    Schlagwort(e): Chemistry ; General Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 8
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Zeitschrift für die chemische Industrie 100 (1988), S. 1459-1459 
    ISSN: 0044-8249
    Schlagwort(e): Chemistry ; General Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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