Constitutional
Topological
Geometrical
Electrostatic
CPSA
Quantum-chemical
MO-related
Thermodynamic
 

Thermodynamic Descriptors

Vibrational enthalpy of the molecule

Translational enthalpy of the molecule

Vibrational entropy of the molecule

Rotational entropy of the molecule

Translational entropy of the molecule

Vibrational heat capacity of the molecule

Normal coordinate EigenValues (EVA)

 

 
   
 
   
University of Florida 2001.
All rights reserved