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Hello, I calculated a cation molecule with gaussian 09. Based on the output file, how can I determine which atom has a charge? In Gaussian view, N atom has 4 bonds, so it might have + charge. What...
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Hello, I am having a problem with structure optimization. My molecule contains a cyclopropane ring structure. (Also other types of rings too.) When calculation ended, this ring is not maintained....
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Hello, I was trying to calculate the zwitterion substrate's minimum value with Gaussian 09. Tried several calculations but, their results showed that one imaginary value. I don't think this...
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Hello, I've been working on calculating the concerted reaction mechanism. I calculated stepwise reactions before, but I never had a chance to work on concerted reactions. Now, I'm having trouble...
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