کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10706823 | 1023507 | 2005 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Study on the electronic structure of pyrazoline derivatives with different substituents
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Study on the electronic structure of pyrazoline derivatives with different substituents Study on the electronic structure of pyrazoline derivatives with different substituents](/preview/png/10706823.png)
چکیده انگلیسی
The electronic structures of a series of pyrazoline derivatives are investigated by means of quantum chemical calculation methods B3LYP/6-31G and ZINDO-SOS, the semi-experiential method AM1 and PM3 as well as the UV-Vis absorption spectroscopy and cyclic voltammograms (CVs) experiment. The results suggest that the theoretical findings are consistent with the experimental observations, indicating that different constituents could considerably alter the electronic structure, i.e., HOMO level, LUMO level and energy gap.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Current Applied Physics - Volume 5, Issue 4, May 2005, Pages 327-330
Journal: Current Applied Physics - Volume 5, Issue 4, May 2005, Pages 327-330
نویسندگان
G.B. Yang, Y. Wu, W.J. Tian, X. Zhou, A.M. Ren,