Comment Comment by KPLauritzen Some colleagues of mine build a similar tool, http://molcalc.org/It gives you access to a lot more properties of the molecule you build than just the energy: Thermodynamics, solvation energies, vibrational frequencies etc. parent KPLauritzen 11 years ago
It gives you access to a lot more properties of the molecule you build than just the energy: Thermodynamics, solvation energies, vibrational frequencies etc.