One by one the interactions with the cavity were calculated
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Joaquin Barroso Flores is a member of Chemistry on Mendeley.
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Hi Marty, I know it is very old question, but I am facing the same issue and unfortuantely I could n
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Hi! I have a problem with my molecule in Gaussian. I want to launch a calculation but appears this e
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Hello I am going to optimize partially ionic organic molecule, so I don't know where to put the coun
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I am using gaussian 09 d for optimisation of sulphur containing compound. I have used b3lyp as funct
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Dear Prof. Barroso, I very much appreciate your kind reply. I'm a beginner of Gaussian. Your blog is
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You probably don’t have enough disk space to make it work.
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Hello Dr. Barroso, My problem is The calcul stops without an error #p opt=(maxcyc=1000) wb97xd/6-31g
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Sir, while optimizing cluster structure I am getting Error Termination via Lnk1e in /home/g16/l101.e
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