The electronic structure of the heptafulvalene trianion radical—The doublet instability of the Hartree-Fock solution and related phenomena Azumao ToyotaTakeshi Nakajima Original Investigations Pages: 505 - 512
The electronic structure of the heptafulvalene trianion radical—The doublet instability of the Hartree-Fock solution and related phenomena Azumao ToyotaTakeshi Nakajima Original Investigations Pages: 505 - 512
A simplified method for molecular correlation energy calculations by separation into internal and non-internal parts. Application to multiconfigurational zeroth-order wavefunctions Jacques LievinJacques BreuletJean -Yves Metz Original Investigations Pages: 513 - 537
A simplified method for molecular correlation energy calculations by separation into internal and non-internal parts. Application to multiconfigurational zeroth-order wavefunctions Jacques LievinJacques BreuletJean -Yves Metz Original Investigations Pages: 513 - 537
On the quantum chemical origin for the nonvalidity of Koopmans' theorem in transitionmetal compounds Michael C. Böhm Original Investigations Pages: 539 - 558
On the quantum chemical origin for the nonvalidity of Koopmans' theorem in transitionmetal compounds Michael C. Böhm Original Investigations Pages: 539 - 558
Assignment of electronic transitions by geometry optimization P. C. MishraKarl Jug Original Investigations Pages: 559 - 579
Assignment of electronic transitions by geometry optimization P. C. MishraKarl Jug Original Investigations Pages: 559 - 579
Ab-initio SCF potential energy surfaces for the nucleophilic attack of hydride on coordinated carbon monoxide S. NakamuraA. Dedieu Original Investigations Pages: 587 - 595
Ab-initio SCF potential energy surfaces for the nucleophilic attack of hydride on coordinated carbon monoxide S. NakamuraA. Dedieu Original Investigations Pages: 587 - 595
