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  • 1
    Digitale Medien
    Digitale Medien
    Variations in carbon-oxygen and platinum-carbon frequencies for carbon monoxide on a platinum electrode (1982)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 86 (1982), S. 4851-4852 
    Details
    Quelle: ACS Legacy Archives
    Thema: Chemie und Pharmazie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1021/j100222a004
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  • 2
    Digitale Medien
    Digitale Medien
    The interaction of nitrogen and carbon monoxide with certain ions and neutral species (1982)
    Springer
    Theoretical chemistry accounts 60 (1982), S. 579-587 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Nitrogen fixation ; Nitrogen complexes ; Carbon monoxide complexes ; Electronic effects
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract MNDO method is used to study the interaction of nitrogen and carbon monoxide molecules with a proton, hydrogen atom, hydride ion, hydrogen molecule ion and hydrogen molecule. Predicted geometries and heats of reaction of different complexes are presented. The wave functions are analyzed in terms of ground state charge distributions and overlap populations. Electronic effects accompanying complexation are also discussed.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00549613
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  • 3
    Digitale Medien
    Digitale Medien
    MNDO study of reaction paths: Hydroboration of methyl cyanide (1982)
    Springer
    Theoretical chemistry accounts 60 (1982), S. 451-454 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Hydroboration of methyl cyanide ; Effect of methyl substitution ; Charge-transfer effects
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The hydroboration reaction of methyl cyanide has been investigated by the MNDO method. It has been shown that the reaction requires an activation energy of 25.3 kcal/mol and involves a four-center-like transition state in the rate-determining step. This reaction has been compared with the corresponding reaction of hydrogen cyanide, and the effect of methyl substitution on the reaction has been discussed. The charge-transfer effects accompanying the reaction have also been studied.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00548698
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  • 4
    Digitale Medien
    Digitale Medien
    MNDO study of reaction paths: Diboration of acetylene (1982)
    Springer
    Theoretical chemistry accounts 60 (1982), S. 573-578 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Diboration of acetylene ; Three-center π-complex ; Charg-transfer effects
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The reaction of B2H4 with acetylene has been studied by the MNDO method. It is shown that the reaction is exothermic and proceeds in two steps. The first step is the formation of a three-center π-complex and this is the rate-determining step of the reaction. The second step is the rearrangement of the π-complex to the product and this step requires a very small amount of activation energy. The activation barrier for the diboration reaction is 12.8 kcal/mol. The proposed mechanism is significantly different from those proposed earlier and explains all experimental data relating to this reaction.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00549612
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