Belgacem Bezzina

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Questions related from Belgacem Bezzina

How to scan a range OR part of the path with gaussian09????

Is it possible to performing a scan calculation using two step sizes with gaussian09, for example in first step we use 1 Ångström, after determining best range, we use 0.1 Ångström without...

28 November 2023 1,560 0 View

How can I correctly use GAUSSIAN 09 for computing the abond dissociation enthalpy of a 2,2' bifurane molecule?

- How do I specify the position of a radical in the furane molecule (alpha C or beta C) in the Gaussian 09 input file? - When we calculate the bond dissociation enthalpy (deltaH) of the bicycle...

15 October 2023 8,961 5 View