Digitale Medien
Springer
Theoretical chemistry accounts
24 (1972), S. 389-392
ISSN:
1432-2234
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
Abstract A self-consistent procedure has been worked out for the optimisation of geometrical parameters of ground and transition states of molecular systems and chemical reactions. For cyclopentadiene molecule, the CNDO/2 method is used to calculate a number of the geometrical configurations which lie at the reaction co-ordinates corresponding to possible channels of the proton migration.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF01007555
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