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Electronic structure of unstable intermediates (1973)

Thomson, Colin ; Wishart, Brian J.

Springer

Theoretical chemistry accounts 31 (1973), S. 347-353

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ISSN: 1432-2234

Keywords: Unstable intermediates ; Calculated geometry

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract The geometry of the species OCC has been investigated within the restricted Hartree-Fock LCAO-MO-SCF approximation. Several one electron properties have been calculated at the calculated minimum energy configuration of R(O-C)=2.121 bohr, R(C-C)=2.58 bohr.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF00527561

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