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>Calculation of the Energy Band Structures of Complicated Periodic DNA Models in the Semiempirical SCFndash;LCAOndash;Crystalhyphen;Orbital Approximation
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Calculation of the Energy Band Structures of Complicated Periodic DNA Models in the Semiempirical SCFndash;LCAOndash;Crystalhyphen;Orbital Approximation
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机译:Calculation of the Energy Band Structures of Complicated Periodic DNA Models in the Semiempirical SCFndash;LCAOndash;Crystalhyphen;Orbital Approximation
The electronic wavefunctions and energy bands of periodic DNA models consisting of two superimposed base pairs as unit cells have been calculated in the semiempirical SCFndash;LCAOndash;crystalhyphen;orbital approximation. The results obtained for poly(Andash;T; Gndash;C), poly(Andash;T; Cndash;G), poly(Andash;T; Tndash;A), and poly(Gndash;C; Cndash;G) indicate that the bandwidths, in contrast to those previously calculated for poly(Andash;T) and poly(Gndash;C) cases, are quite narrow.
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