## Carbon dioxide photolysis from 150 to 210 nm : Singlet and triplet channel dynamics , UV-spectrum , and isotope effects

- Johan A. Schmidta, Matthew S. Johnsona, Reinhard Schinkeb
- 2013

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@article{Schinke2011PhotodissociationON, title={Photodissociation of N2O: potential energy surfaces and absorption spectrum.}, author={R. Schinke}, journal={The Journal of chemical physics}, year={2011}, volume={134 6}, pages={064313} }

- Published 2011 in The Journal of chemical physics
DOI:10.1063/1.3553377

The ultraviolet photodissociation of N(2)O is studied by wave packet calculations using global three-dimensional potential energy surfaces for the two lowest (1)A' states. The incorporation of all internal degrees of freedom in the dynamics calculations is essential for a realistic treatment. The room-temperature absorption cross section is well reproduced, including the weak vibrational structures. Classical periodic orbits show that the latter can be attributed to large-amplitude NN stretch… CONTINUE READING