ies showed t h at t he st ruc t ural p aram et ers of merid . ia n a l A lq3 cou ld b e th eore t ic a lly ob t ain ed by using Hart ree—Fb ck fHF 1 calculati0ns wit h t he 3—21+ G b asis set and G G A calculat io ns [22,23] wh ich are in ...
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