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
back to result list
  • 1
    Electronic Resource
    Electronic Resource
    On the interaction of cyanate and thiocyanate anions with Li+ and Mg2+ (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 52 (1994), S. 553-563 
    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: The energy surfaces of Mn+/SCN- and Mn+/OCN- (M = Li+ and Mg2+) ion pairs have been calculated at the Hartree-Fock and MP2 levels of theory. The electrostatic potential and the actual binding energies are compared. Besides linear ion pairs, nonlinear ones are also found and are in some cases the most stable ones. The electrostatic potential and the actual binding to cations are compared. © 1994 John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560520849
    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...