6-Thiophene Conformer Study - B3lyp TDDFT & Zindo via confab
收藏Figshare2013-07-23 更新2026-04-29 收录
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https://figshare.com/articles/dataset/6_Thiophene_Conformer_Study_B3lyp_TDDFT_Zindo_via_confab/750677
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资源简介：
Small study on checking the variation of TD-DFT and Zindos oscillator strength / first transition energy for a 6-thiophene oligomer, enumerating the conformers via 'confab' (http://www.jcheminf.com/content/3/1/8). Shell scripts, structures, Gaussian job files and resulting logs provided. See blog post below for related discussion & motivation.
创建时间：
2013-07-23
