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Transition State Energies for N2O + H = N2 + OH


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Energies in kJ/mol relative to reactant
Methods with predefined basis sets
semi-empirical PM3 39.4

Energies in kJ/mol relative to reactant
Methods with standard basis sets
6-31G* 6-31+G**
hartree fock HF 0.4 142.5
6-31G* 6-31+G**
For descriptions of the methods (AM1, HF, MP2, ...) and basis sets (3-21G, 3-21G*, 6-31G, ...) see the glossary Predefined means the basis set used is determined by the method.