NATURALS ORBITALSDAVIDSON ER.1972; ADV. QUANTUM CHEM.; U.S.A.; DA. 1972; VOL. 6; PP. 235-266; BIBL. 2 P. 1/2Serial Issue

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PARTNER ORBITALS IN HARTREE-FOCK THEORYHIRAO K.1980; BULL. CHEM. SOC. JPN.; ISSN 0009-2673; JPN; DA. 1980; VOL. 53; NO 8; PP. 2152-2158; BIBL. 12 REF.Article

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OPEN SHELL SELF-CONSISTENT-FIELD THEORYADAMS WH.1978; J. CHEM. PHYS.; USA; DA. 1978; VOL. 69; NO 5; PP. 1924-1928; BIBL. 41 REF.Article