Bibliothek

X
feed icon rss

Ihre E-Mail wurde erfolgreich gesendet. Bitte prüfen Sie Ihren Maileingang.

Leider ist ein Fehler beim E-Mail-Versand aufgetreten. Bitte versuchen Sie es erneut.

Vorgang fortführen?

Exportieren
Filter
  • 1980-1984  (4)
  • Ab-initio SCF calculations  (4)
  • Gene expression
  • Magnetic resonance imaging
Datenquelle
Materialart
Erscheinungszeitraum
Jahr
Schlagwörter
  • 1
    Digitale Medien
    Digitale Medien
    Rotational isomerism inbis carbene MOL4 complexes: A theoretical study (1984)
    Springer
    Theoretical chemistry accounts 64 (1984), S. 461-467 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Carbene rotational barriers ; Isolobal analogy ; Ab-initio SCF calculations
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract LCAO-MO-SCF calculations are reported for the different stereoisomers of the Mo(CO)4(CH2)2 and Mo(CO)4[C(NH2)2]2 systems. The substitution of the hydrogen atoms by the amino groups in the carbene ligands leads to an almost zero rotational barrier. Steric interactions are therefore expected to govern the barrier for diaminocarbene ligands which are more bulky than C(NH2)2. The rotational isomerism in thesebis carbene MoL4 systems is also discussed in connection with the isolobal analogy between CH2 and C2H4.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF02399238
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 2
    Digitale Medien
    Digitale Medien
    Rotational isomerism inbis carbene MOL4 complexes: A theoretical study (1984)
    Springer
    Theoretical chemistry accounts 64 (1984), S. 461-467 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Carbene rotational barriers ; Isolobal analogy ; Ab-initio SCF calculations
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract LCAO-MO-SCF calculations are reported for the different stereoisomers of the Mo(CO)4(CH2)2 and Mo(CO)4[C(NH2)2]2 systems. The substitution of the hydrogen atoms by the amino groups in the carbene ligands leads to an almost zero rotational barrier. Steric interactions are therefore expected to govern the barrier for diaminocarbene ligands which are more bulky than C(NH2)2. The rotational isomerism in thesebis carbene MoL4 systems is also discussed in connection with the isolobal analogy between CH2 and C2H4.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00554231
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 3
    Digitale Medien
    Digitale Medien
    Ab-initio SCF potential energy surfaces for the nucleophilic attack of hydride on coordinated carbon monoxide (1982)
    Springer
    Theoretical chemistry accounts 61 (1982), S. 587-595 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Nucleophilic addition ; CO activation ; Ab-initio SCF calculations
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Ab-initio SCF calculations are reported for the nucleophilic addition of the hydride ion H− on the iron pentacarbonyl Fe(CO)5 complex. The stereochemistry of the attack has been established from the determination of two potential energy surfaces. The reaction is shown to be highly exothermic and with no activation barrier. This activation of CO towards the nucleophilic addition is rationalized in terms of molecular orbital interactions.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF02394735
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 4
    Digitale Medien
    Digitale Medien
    Ab-initio SCF potential energy surfaces for the nucleophilic attack of hydride on coordinated carbon monoxide (1982)
    Springer
    Theoretical chemistry accounts 61 (1982), S. 587-595 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Nucleophilic addition ; CO activation ; Ab-initio SCF calculations
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Ab-initio SCF calculations are reported for the nucleophilic addition of the hydride ion H− on the iron pentacarbonyl Fe(CO)5 complex. The stereochemistry of the attack has been established from the determination of two potential energy surfaces. The reaction is shown to be highly exothermic and with no activation barrier. This activation of CO towards the nucleophilic addition is rationalized in terms of molecular orbital interactions.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00552671
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
Schließen ⊗
Diese Webseite nutzt Cookies und das Analyse-Tool Matomo. Weitere Informationen finden Sie hier...