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Questions related from Zohre Hasanzade
I optimized the complexes with pbc calculation by gaussian program and now I want to extract the HOMO and LUMO energies. but the GaussView can not give these values. Can you help me? Thanks
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Can anybody give me equation where I can calculate this correction?
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what does it mean? running at least two replica simulations per system, to ensure reproducibility of your results.
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