Mal Ahmed Ali

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Questions related from Mal Ahmed Ali

Calculation of single point energy, and calculation of geometry optimization , which one is better to used if i used semiempirical method?

I want to compare between DFT and method of semiempirical but I do not know which calculation is better to use (single point energy, or calculation of geometry optimization)

11 April 2016 8,479 5 View

Is there any website or book that have experiment data of ionization potential and electron affinity of bio molecules?

Is there any website or book that have experiment data of ionization potential and electron affinity of biomolecules ، please, help if you know. Thanks

24 December 2015 6,796 2 View