Luis Carlos De Vicente Poutás

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Questions related from Luis Carlos De Vicente Poutás

Is it always reliable the bonding description of a molecular system you obtain using the NBO method?

Hi, in the last days i have been reading about nbo method and i have the next doubt: is it always reliable the bonding description of a molecular system you obtain using the NBO method? In which...

10 October 2017 377 4 View

How can one optimize the mximun imcact paremeter bmax for a given collision energy in molecular dynamics?

I need to know how i can optimize this parameter, could anyone help me?

05 May 2017 7,269 1 View