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Questions related from Mushraf Hussain
I tried b3lyp/6-31g(d) which is approx. 100nm red shifted from experimental UV-vis absorption. cam-b3lyp/6-31g(d) is about 100nm blue shifted.wb97xd/6-31g(d) is further blue shifted to 150-200 nm....
03 May 2018 4,352 4 View