Preferred Label : equilibrium geometry;
IUPAC definition : Molecular geometry that corresponds to the true minimum on the respective potential
energy surface. While information relating to the equilibrium geometry is provided
by calculations within the adiabatic approximation (minimization of the total energy
with respect to any independent geometrical parameter), various experiments yield
some effective geometries for the molecule which are averaged over molecular vibrations.;
Origin ID : ET07031;
See also
Molecular geometry that corresponds to the true minimum on the respective potential
energy surface. While information relating to the equilibrium geometry is provided
by calculations within the adiabatic approximation (minimization of the total energy
with respect to any independent geometrical parameter), various experiments yield
some effective geometries for the molecule which are averaged over molecular vibrations.
