Ali Ahmadi Peyghan

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Questions related from Ali Ahmadi Peyghan

Are experimental HOMO and -IP (Ionization potential) equal?

Are HOMO and -IP values equal in experimental measurements? Does exist an experimental method giving different values for HOMO and -IP of a molecule? Is it meaningful? Cyclic voltammetry,...

24 October 2015 1,064 6 View

Is it possible to calculate electronic energy of a cation X+ without relaxation of its orbitals compared to those of X?

Is it possible to calculate electronic energy of a cation X+ without relaxation of its orbitals compared to those of netural X in DFT, HF, ...?! In other words, can one model a hypothetical atom...

24 October 2015 7,193 5 View