Mk Amshumali

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Questions related from Mk Amshumali

How to calculate thermodynamic properties at different temperatures from Gaussian output file using any method. can anyone explain this please?

As from output file of frequency calculation form Gaussian software we are able to calculate thermodynamic properties at one temperature only.but to get properties at various temperatures in...

12 December 2017 5,207 1 View

For geometry optimization of larger molecules, avagadro software is not supporting; why?

in theoretical chemistry for geometry optimization of larger molecules avagadro software is not supporting why?

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