Transition state barrier height for the reaction H2CO→H2+CO studied by multireference Mo/ller–Plesset perturbation theory
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.473540
Reference19 articles.
1. Stark level‐crossing spectroscopy of S0 formaldehyde eigenstates at the dissociation threshold
2. Photodissociation of formaldehyde: Potential energy surfaces for H2CO → H2 + CO
3. MCSCF potential energy surface for photodissociation of formaldehyde
4. The photodissociation of formaldehyde: Potential energy surface features
5. The lowest singlet potential surface of formaldehyde
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