Charis E. Semidalas

3 Questions 10 Answers 0 Followers

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Dear colleagues, can you suggest a method for connecting different virtual machines in linux environment for parallel computing?

I use OpenSuse 13.2 and I am interested in performing chemical quantum calculations.

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Does anybody know the scale factor for frequencies calculated with the method wB97x/6-311+G(2d, 2p) with the program Gaussian 09?

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How can I save all the conformers in a single file after the conformational analysis which was done by the program Avogadro?

I use the program Avogadro (version1.0.3) on Linux OpenSuse 12.2. After the conformational analysis of an organic molecule I found many conformers which I want to save in a file for further ab...

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