Issue 5, 1970

Ab initio calculations, including d-orbitals, of the electronic structure of thiophen

Abstract

Ab initio molecular orbital calculations using a Gaussian basis set, of the electronic structure of thiophen indicate that 3d-orbitals play a minor role in the bonding in this molecule.

Article information

Article type
Paper

J. Chem. Soc. D, 1970, 319-320

Ab initio calculations, including d-orbitals, of the electronic structure of thiophen

D. T. Clark and D. R. Armstrong, J. Chem. Soc. D, 1970, 319 DOI: 10.1039/C29700000319

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