Marcus Theory Calculator

Calculate electron transfer rates and activation barriers using Marcus theory

Reaction Free Energy, dG° (kJ/mol)

Reorganization Energy, Lambda (kJ/mol)

Temperature (K)

Electronic Coupling, Hab (kJ/mol) - Optional

About Marcus Theory

Marcus theory describes electron transfer reactions and predicts the famous "inverted region" where reactions become slower as the driving force increases beyond the reorganization energy.

Normal region: |dG°| < Lambda - rate increases with driving force
Optimal: |dG°| = Lambda - barrierless, maximum rate
Inverted region: |dG°| > Lambda - rate decreases with driving force