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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 64 (1984), S. 461-467 
    ISSN: 1432-2234
    Keywords: Carbene rotational barriers ; Isolobal analogy ; Ab-initio SCF calculations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: 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.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 64 (1984), S. 461-467 
    ISSN: 1432-2234
    Keywords: Carbene rotational barriers ; Isolobal analogy ; Ab-initio SCF calculations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: 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.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 61 (1982), S. 587-595 
    ISSN: 1432-2234
    Keywords: Nucleophilic addition ; CO activation ; Ab-initio SCF calculations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: 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.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 61 (1982), S. 587-595 
    ISSN: 1432-2234
    Keywords: Nucleophilic addition ; CO activation ; Ab-initio SCF calculations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: 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.
    Type of Medium: Electronic Resource
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  • 5
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: To understand influences of various factors on dynamic durability of engineering plastics, effects of average molecular weights of samples, molding variables, preparing methods of specimens, and fillers on plane and rotational bending, torsional, and impacting fatigue and cavitation erosion and solvent cracking of polycarbonate were studied. From the experimental results, the following tendencies are observed as a whole in case of polycarbonate: The extent of influence of the factors on dynamic durability varies depending on the type of testing. Increase in molecular weight has a favorable effect on dynamic durabilities. Influence of molding conditions is remarkable: especially, deficient drying of resin pellets before molding decreases dynamic durability noticeably, and specimens prepared by injection molding have much better durabilities than those by machaning from extruded sheet. Polyethylene blending has an unfavorable effect on durability, except for Izod-type impact strength and solvent cracking. Reinforcement by glass fiber has a favorable effect on fatigue under constant deformation and cavitation erosion.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 34 (1996), S. 493-495 
    ISSN: 0887-624X
    Keywords: chemoselective polycondensation ; functional polymer ; aromatic polyester ; hydroxyl group ; sulfamino acid moiety ; amino acid moiety ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: No abstract.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 34 (1996), S. 2517-2519 
    ISSN: 0887-624X
    Keywords: functional polyester ; liquid/solid biphase polycondensation ; tertiary amine group ; heterogeneous polymer reaction ; quaternary ammonium group ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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