Author: John Kitchin
Molecules#
In this chapter we consider how to construct models of molecules, how to manipulate them, and how to calculate many properties of molecules. For a nice comparison of VASP and Gaussian see citealp:paier:234102.
Author: John Kitchin
In this chapter we consider how to construct models of molecules, how to manipulate them, and how to calculate many properties of molecules. For a nice comparison of VASP and Gaussian see citealp:paier:234102.