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
Filter
  • Articles: DFG German National Licenses  (3)
  • Inorganic Chemistry  (2)
  • Ab initio versus CNDO potential surface calculations  (1)
Source
  • Articles: DFG German National Licenses  (3)
Material
Years
Keywords
  • 1
    Electronic Resource
    Electronic Resource
    Ab initio versus CNDO potential surface calculations for Li2O and Al2O (1974)
    Springer
    Theoretical chemistry accounts 32 (1974), S. 295-310 
    Details
    ISSN: 1432-2234
    Keywords: Potential surfaces ; Li2O ; Al2O ; Ab initio versus CNDO potential surface calculations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Potential surfaces for Li2O and Al2O have been calculated by an ab initio SCF-LCAO-MO method and by the semiempirical CNDO method. For both molecules the semiempirical methods incorrectly imply unreasonable structures with very acute apex angles and very long bond distances — rather more like diatomic Li2 or Al2 molecules with O-atoms attached to their bonds. Our ab initio treatment does correctly predict a symmetrical linear configuration for Li2O with bond distances in excellent agreement with experiment. This method also predicts a linear symmetrical structure for Al2O, in agreement with experimental gas phase measurements but in disagreement with matrix-isolation studies.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00526865
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Eine neue Synthese der Alkohole (1873)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 6 (1873), S. 1542-1542 
    Details
    ISSN: 0365-9496
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.187300602191
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Über einige Derivate des 1.8-Naphthsultams (1924)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 57 (1924), S. 1056-1061 
    Details
    ISSN: 0365-9631
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19240570629
    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...