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- W1548417423 abstract "MNDO calculations with complete geometry optimization were carried out on cubane and its 21 aza derivatives (from azacubane to octa-azacubane). The calculated heats of formation are discussed using additive models and isodesmic reactions. The empirical models show additivity of the Δhf values, but are difficult to rationalize. The isodesmic reactions tend to prove that azacubanes are relatively more stable than cubane itself and are thus reasonable synthetic targets." @default.
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- W1548417423 date "1990-03-01" @default.
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- W1548417423 title "Theoretical studies of aza analogues of platonic hydrocarbons" @default.
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- W1548417423 doi "https://doi.org/10.1016/0166-1280(90)85007-a" @default.
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