以FragmentChargeDifference及GeneralizedMulliken-Hush方法執行電子轉移耦合之全初始計算:應用於在光激發及振動影響下之剛性鍵橋連接之電子予體-受體分子系統
博士 === 國立清華大學 === 化學系 === 98 === The electronic coupling values for photo-induced electron transfer (ET) were calculated by the fragment charge difference (FCD) [A. A. Voityuk and N. J. Rösch, Chem. Phys. 117, 5607 (2002)] and the generalized Mulliken-Hush (GMH) schemes [R. J. Cave and M. D. Newton,...
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| Format: | Others |
| Language: | en_US |
| Published: |
2010
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| Online Access: | http://ndltd.ncl.edu.tw/handle/22769227020453462307 |