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    Electronic Resource
    Electronic Resource
    The effect of solvent on the internal rotation of formamide: A CNDO/2-solvaton method study (1981)
    Springer
    Theoretical chemistry accounts 60 (1981), S. 327-337 
    Details
    ISSN: 1432-2234
    Keywords: Solvation ; CNDO ; Solvaton ; Formamide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The effect of solvent on the barrier to internal rotation of formamide had been studied using a solvaton method within the CNDO/2 parameterization. The experimental trend of increasing rotational barrier with increasing solvent dielectric constant has been reproduced. A critical examination of the manner in which interactions between solute and solvent were allowed to modify solute energies and the polarization of the solute wavefunction was performed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00549276
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