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翻译EPI: 28
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金币: 2391.9
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专业: 矿物学(含矿物物理学）

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zhang727626: 金币+50, 翻译EPI+1 2012-04-16 20:38:33

A density-time curve of the system simulated by 1ns NPT ensemble dynamics.
Locus of HOMO and LUMO can always fallowing the fluctuation of time.
Charge transfer integral of HOMO and LUMO is following the fluctuation of time for a by 1ps, b by 10ps and c by 100ps.
Charge transfer integral of Molecule 1 and 2 following the change of time
Calculate the mobility of electron and hole by Monte Carlo (left) and major equation (right).
Track of amorphous Alq3 system during part of transmission path.
Centroid distance of Track of amorphous Alq3 system during charge transfer integral and its transmission path.
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