%0 Journal Article %1 publ9376183 %A Aoiz, F. J. %A Bañares, L. %A Herrero, V. J. %A Sáez Rábanos, V. %A Stark, K. %A Tanarro, I. %A Werner, H. J. %D 1996 %J Chem. Phys. Lett. %K chemie imported werner from:alexanderdenzel theoretische stuttgart theochem %N 3-4 %P 175–182 %R 10.1016/0009-2614(96)01074-3 %T The F + HD reaction: Cross sections and rate constants on an ab initio potential energy surface %U http://dx.doi.org/10.1016/0009-2614(96)01074-3 %V 262 %X Reaction cross sections and rate constants for the F + HD reaction have been calculated on the recently released Stark-Werner (SW) ab initio potential energy surface (PES) using the quasiclassical trajectory (QCT) method. The results are compared to other theoretical calculations on different PESs and to experimental isotopic branching ratios. The general agreement is good. Dynamical features related to the asymmetric nature of the HD molecule are also discussed.

@article{publ9376183, abstract = {Reaction cross sections and rate constants for the F + HD reaction have been calculated on the recently released Stark-Werner (SW) ab initio potential energy surface (PES) using the quasiclassical trajectory (QCT) method. The results are compared to other theoretical calculations on different PESs and to experimental isotopic branching ratios. The general agreement is good. Dynamical features related to the asymmetric nature of the HD molecule are also discussed.}, added-at = {2019-03-01T15:49:44.000+0100}, author = {Aoiz, F. J. and Ba{\~{n}}ares, L. and Herrero, V. J. and {S{\'{a}}ez R{\'{a}}banos}, V. and Stark, K. and Tanarro, I. and Werner, H. J.}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2d9a9d61e070042486a2e0b18f0440b03/theochem}, doi = {10.1016/0009-2614(96)01074-3}, interhash = {6b951e43de331696f55596ae2e640981}, intrahash = {d9a9d61e070042486a2e0b18f0440b03}, issn = {00092614}, journal = {Chem. Phys. Lett.}, keywords = {chemie imported werner from:alexanderdenzel theoretische stuttgart theochem}, number = {3-4}, pages = {175–182}, timestamp = {2019-03-01T14:49:44.000+0100}, title = {{The F + HD reaction: Cross sections and rate constants on an ab initio potential energy surface}}, url = {http://dx.doi.org/10.1016/0009-2614(96)01074-3}, volume = 262, year = 1996 }