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Questions related from Kc Tan
Hi, There are many journals related to simulation that used Silicon cluster as the substrate model. I have also seen SiO2 cluster model on the research journal. However i can't seem to find any...
08 November 2019 8,287 1 View
How can we investigate the adsorption mechanism of a gas molecule on the substrate surface (e.g. Silicon) using Gaussian software? By using QST2/3 and IRC only? In order to use QST2/3, we need...
14 November 2018 6,579 2 View
Let's say there is a rxn : A+B -> C+D i) Enthalpy of reaction/gibbs free energy of a reaction can be calculated using the thermochemistry output from Gaussian. deltaG = sum(Gc +Gd) - sum(Ga...
01 January 1970 4,740 5 View
