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  • 1
    Electronic Resource
    Electronic Resource
    Minimal basis set MINI-1 — powerful tool for calculating of molecular interactions. I. Neutral complexes (1984)
    Springer
    Theoretical chemistry accounts 65 (1984), S. 279-290 
    Details
    ISSN: 1432-2234
    Keywords: Intermolecular interactions ; hydrogen-bonded complexes ; basis sets
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The Huzinaga MINI-1 minimal basis set was applied to the following complexes: H3N...HF, H2O...HF, (HF)2, (H2O)2, HCN...HF, OCO...HF, HF...HNH2, (HCl)2, CH4...OH2 and (H3Si)2O...H2O. The optimized geometries and stabilization energies agree well with the 6–31G* values, while the computing time is reduced considerably. The MINI-1 basis set was further tested for the stacking structure of the ethylene dimer and the cyclic structure of the formamide...formamidine complex, where fair agreement with the 4–31G results was obtained. The normal vibrational frequencies calculated for some complexes are comparable to those evaluated at the 4–31G (6–31G) level.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00548253
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    The minimal basis set MINI-1—powerful tool for calculating intermolecular interactions. II. Ionic complexes (1984)
    Springer
    Theoretical chemistry accounts 65 (1984), S. 291-302 
    Details
    ISSN: 1432-2234
    Keywords: Intermolecular interactions ; cation-molecule complexes ; anion-molecule complexes ; basis sets
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Optimum geometries and stabilization energies are determined for complexes of H2O, NH3, CH4, C2H4, CO, and N2 with metal cations including Li+, Na+, K+, Rb+, Be2+, Mg2+, Ca2+, Zn2+, and Al3+, for the complex (HO)2PO 2 − ...Mg2+ and for the complexes of water with F−, Cl−, and Br− by SCF calculations employing the MINI-1 minimal gaussian basis sets. The Boys-Bernardi method was used to evaluate the superposition error. Comparison with the extended basis set results revealed that the MINI-1 set gives uniformly good results for a broad variety of ionic complexes and therefore should be preferred to other small basis sets.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00548254
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    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Zur Bedeutung der Diagnostik in der klientenzentrierten Psychotherapie (1997)
    Springer
    Psychotherapeut 42 (1997), S. 362-368 
    Details
    ISSN: 0935-6185
    Keywords: Schlüsselwörter Klientenzentrierte Psychotherapie ; Psychodiagnostik ; Nosologische Kategorien ; Theoriegeleitete initiale Diagnostik ; Verlaufsdiagnostik ; Key words Client-centered therapy ; Psychodiagnosis ; Nosological categories ; Theory-led client-centered initial diagnosis ; Process diagnosis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Psychology , Medicine
    Description / Table of Contents: Summary In this paper the relationship between psychodiagnosis and client-centered therapy is discussed. Rogers is wrongly said to have rejected any kind of diagnosis and that this therapy form has therefore developed an ambiguous relationship to this issue. If one sees psychodiagnosis as something psychodynamic, and symptoms as defense strategies against underlying conflicts, then a comprehensive ’status diagnosis’ using more or less traditional psychiatric categories appears compatible with theory-led client-centered diagnosis in the initial phase and during the course of therapy. Client-centered psychotherapy itself may be seen as a continuous process of dialogue in which ’assumed diagnoses’ (embedded in the therapist’s ’empathic knowledge’) are jointly checked and in which the client through direct experience learns to understand and change his ’diagnosis’.
    Notes: Zusammenfassung Das Verhältnis von Psychodiagnostik und klientenzentrierter Psychotherapie wird diskutiert. Rogers wird fälschlicherweise nachgesagt, daß er Diagnostik grundsätzlich abgelehnt und diese Therapierichtung deshalb ein zumindest zwiespältiges Verhältnis zu dieser Frage entwickelt habe. Betrachtet man jedoch Psychodiagnostik als etwas Psychodynamisches – Symptome als Abwehrstrategie eines dahinterliegenden Konflikts – dann erscheint selbst eine therapieübergreifende „Statusdiagnostik” im Sinne mehr oder minder traditioneller psychiatrischer Kategorien vereinbar mit theoriegeleiteter klientenzentrierter Diagnostik in der Initialphase und im therapeutischen Verlauf. Klientenzentrierte Psychotherapie kann selbst als fortwährender dialogischer Prozeß der gemeinsamen Überprüfung „geschätzter Diagnosen” aufgefaßt werden (eingebettet in das „mitfühlende Wissen des Therapeuten”), in dem der Klient seine „Diagnose” im unmittelbaren Erleben verstehen und verändern lernt.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s002780050088
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    Paper (German National Licenses)
    Fulltext
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