Library

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    Electronic Resource
    Electronic Resource
    Antifungal essential oil and a long chain alcohol from Achyranthes aspera
    Amsterdam : Elsevier
    Phytochemistry 31 (1992), S. 1811-1812 
    Details
    ISSN: 0031-9422
    Keywords: 17-pentatriacontanol. ; Achyranthes aspera ; Amaranthaceae ; antifungal activity ; essential oil ; shoots
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Biology , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0031-9422(92)83153-P
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Impact of lone pairs on the conformation and configuration statistics of poly(lactic acid) chainsPublication No. 543 from the department. (1981)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 20 (1981), S. 613-621 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Nonbonded interaction energies have been calculated for various conformations of the diester giving explicit consideration to the lone-pair electrons. As suspected from an earlier calculation on the dipeptide, such inclusion of the lone-pair effect leads to significant differences in the conformational potential energy map. The diester is shown to be more constrained than the dipeptide. The impact of this constrained geometry and the possible occurrence of cis residues on configuration statistics of poly(lactic acid) chains have been studied. Contrary to expectation the inclusion of cis isomers does not explain the paradoxical high negative temperature coefficient of ln C∞.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560200304
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    New developments in computational polyelectrolyte theory (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 287-299 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A computational methodology for calculating the spatial distribution of average electrolyte ion density in the presence of a polyelectrolyte macroion is presented. The method makes use of an iterative solution technique previously applied to solve the three-dimensional Poisson-Boltzmann equation. Criteria are developed for determining the regions in space at which the Poisson-Boltzmann approximation fails. In these regions the formal series of sums of products describing the local probability densities is constructed. Accurate approximations to the series are developed. The result is a computationally feasible method that avoids the inaccuracies of Poisson-Boltzmann theory.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260730
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    Electronic Resource
    Electronic Resource
    On the polarity of the amide group and its impact on dipeptide conformation (1979)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 15 (1979), S. 783-792 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Giving explicit consideration to the lone pairs of the carbonyl oxygen of the amide group it is found that the polarity of the amide group resides essentially in the lone pair. As a confirmation, the lone pairs of the ester group are also found to account for most of its polarity. This localization of amide dipole affects the dipeptide conformation map only in the unallowed regions of the map, but has significant impact on the dipole moment of the dipeptide in different conformations. The experimentally observed dipole moments of dipeptides in solution are in conformity with our assignment of polarity of the amide group.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560150620
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...