5 Questions 9 Answers 0 Followers
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Dear colleagues, to improve a wastewater treatment plant, I need to check the current situation of the plant in terms of treatment process. In fact, I have to prepare the excel file for checking...
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I want to conduct a theoretical study in which the antioxidant activity and capacity of a phenolic chemical compound is supposed to be evaluated. The number of atoms of the compound is less than...
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Since my calculation ended with errors that its cause was memory insufficiency, I could not do anything. I need gaussian 64-bit version for windows. Are there anyone who help me to obtain it?
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I had a problem when i run the frequency DFT calculation with basis set B3LYP/6-31G. The end of out file reads: dumping /fiocom/, unit = 3 NFiles = 1 SizExt = 524288 WInBlk = 512defal = T LstWrd =...
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For a computational study, I need to have the CIF format of the molecule that I will use for simulation.
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