Preferred Label : improved canonical variational transition-state theory;
Detailed label : improved canonical variational transition-state theory (ICVTST);
IUPAC acronym : ICVTST;
IUPAC definition : A modification of canonical variational transition-state theory in which, for energies
below the threshold energy, the position of the dividing surface is taken to be that
of the microcanonical threshold energy. This forces the contributions to rate constant
to be zero below the threshold energy. A compromise dividing surface is then chosen
so as to minimize the contributions to the rate constant made by reactants having
higher energies.;
Origin ID : I02993;
See also
A modification of canonical variational transition-state theory in which, for energies
below the threshold energy, the position of the dividing surface is taken to be that
of the microcanonical threshold energy. This forces the contributions to rate constant
to be zero below the threshold energy. A compromise dividing surface is then chosen
so as to minimize the contributions to the rate constant made by reactants having
higher energies.
