我做了一篇關(guān)于富勒烯衍生物熒光的文章，是采用甲苯作溶劑做的測(cè)試實(shí)驗(yàn)。但是審稿人讓我填一下理論計(jì)算方面的東西，我不是很清楚。
特別是藍(lán)色字體部分。
This manuscript reports the results of accurate measures of fluorescence spectra of Organofullerenes cis-1 bisadduct, some of which show unusual blue-shifted emissions. The authors attempt to explain their results by comparison and analogy with previous observations on similar compounds. However, they lack and do not make use in their analysis of key data such as the energies of the electronic states involved and of their nature (wavefunctions). Thus the discussion of the results is very qualitative, and in my opinion, scarcely useful. In fact, given the complexity of the systems at hand, specific observations can be explained at a qualitative level in a number of different ways. Qualitative discussions on these compounds were found in the literature in past years, but are not acceptable now. |
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