Gaussian Tutorial: How to Calculate H-bond Energy Using Counterpoise Method

Using this method we can calculate the H-bond energy of any optimized dimer or complex structure. The counterpoise method can also be used to calculate the stacking energy.

[salehalsaee]

can please share the input file for this calculations

[paulbk]

Thank you sir very much for your insightful videos.

Can you please guide on the issue:

Methane forms a T shaped complex with benzene (with its pi electron cloud), then how can i scan the distance of methane from the center of ring (benzene) to construct a potential energy curve?

It will be great help.

[euzavas]

Hi Mr. Gourav! Can you share how you got access to Gaussian View? I wanted to perform theoretical calculations and Gaussian View is such a good aid to set up the files and visualize everything. Thank you!!

[bochen]

Can you use Zero point energy correction here?

[omarel-roudi]

Please how to make Calculations of pKa in Gaussview

[Learning]

Nice explanation, please make video on how we can find the Gibbs free energy, Enthalpy, Zero point energy and deformation energy using gausison package.