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hktk001653木蟲 (正式寫手)
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[求助]
GAMESS預(yù)測(cè)紫外可見吸收光譜出現(xiàn)下列語(yǔ)句,什么意思? 已有1人參與
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如題, 操作方法:GAMESS--predict Uv/vis spectrum---DFT--grid based---B3LYP---6-31G---run 后出現(xiàn)下列語(yǔ)句,什么意思?謝謝! GAMESS Job: Predict UV/Vis Spectrum B3LYP/6-31G error: An error has occurred during the GAMESS calculation. Please see the GAMESS output file for more information: D:\我的文檔\GAMESS Interface\Untitled-1.out |
金蟲 (小有名氣)
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