Unrestricted Hartree-Fock spin density calculations on sulphur-containing radicals: Role of d -orbitals in the &pgr;-electron treatment

By Nanda D.N.   Narasimhan P.T.  

Molecular Physics, Vol. 24, Iss. 6, 1972-12 ,pp. : 1341-1352

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The application of the McLachlan approximation to &pgr;-electron open-shell crystal orbital calculations on columnar stacks of macrocyclic radical ions

By Honeybourne Colin  

Molecular Physics, Vol. 50, Iss. 5, 1983-12 ,pp. : 1045-1054

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Ab initio calculations of the &pgr;-electron structures of aniline by the valence-bond method

By Takekiyo Shozaburo  

Molecular Physics, Vol. 63, Iss. 3, 1988-02 ,pp. : 407-417

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Core and repulsion integrals for Löwdin orthogonalized atomic orbitals in pi-electron systems

By Chong D.P.  

Molecular Physics, Vol. 10, Iss. 1, 1965-01 ,pp. : 67-71

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The effect of bond length variations in molecular orbital calculations of &pgr;-electron spectra—aniline

By Peacock T.E.  

Molecular Physics, Vol. 3, Iss. 5, 1960-09 ,pp. : 453-456

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