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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 44 (1977), S. 45-59 
    ISSN: 1432-2234
    Keywords: MC method ; Excited states ; core hole states ; Carbon ; Lithium ; Water ; Formaldehyde
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The Generalized Brillouin Theorem Multiconfiguration Method (GBT-MC) of Grein and Chang is extended and applied to the calculation of excited states. Orthogonality constraints to lower states as well as second-order interaction effects of states lying close together have been taken into account. In this way quadratic convergence can be guaranteed. Difficulties with coupling coefficients and Lagrangian multipliers of SCF methods can be circumvented. Test calculations have been performed on valence electron excited states of C, H2O, and CH2O, and on core excited states of Li.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Journal of polymer research 1 (1994), S. 353-359 
    ISSN: 1572-8935
    Keywords: Polyurethane ; Phenylbis(hydroxyalkyl)phosphonate ; Thermal stability ; Char yield
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract Phenylbis(hydroxyalkyl)phosphonates were prepared by treating excess glycol(ethylene glycol or diethylene glycol) with phenylphosphonic dichloride (PPD). Phosphorus-containing homopolyurethanes were synthesized by low temperature solution polyaddition by phenylbis (hydroxyalkyl)phosphonates with tolylene diisocyanate (TDI). Copolyurethanes with various phosphorus content were prepared by copolymerization of tolylene diisocyanate with polypropylene glycol (PPG, MW = 3000), and phenylbis(hydroxyalkyl)phosphonate. All polymers were characterized by elemental analysis, infrared (IR), differential scanning calorimeter (DSC), differential thermal analysis (DTA), and thermogravimetric analysis (TGA). Thermal properties of the polyurethane were compared with that of the common polyurethane. Phosphorus containing homopolyurethanes and copolyurethanes had lower decomposition temperatures and higher char yield residue than the corresponding common polyurethane.
    Type of Medium: Electronic Resource
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