%0 Journal Article %1 AK61 %A Aoto, Yuri Alexandre %A Köhn, Andreas %D 2016 %J Phys. Chem. Chem. Phys. %K chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem %N 44 %P 30241–30253 %R 10.1039/c6cp05782a %T Revisiting the F + HCl → HF + Cl reaction using a multireference coupled-cluster method %U http://dx.doi.org/10.1039/c6cp05782a %V 18 %X A potential energy surface for the title reaction is constructed using a multireference coupled-cluster method, giving rate constant in excellent agreement with experiments

@article{AK61, abstract = {A potential energy surface for the title reaction is constructed using a multireference coupled-cluster method, giving rate constant in excellent agreement with experiments}, added-at = {2019-02-06T13:16:26.000+0100}, author = {Aoto, Yuri Alexandre and K{\"{o}}hn, Andreas}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2391086ca778c0fd3862143b56268f606/theochem}, doi = {10.1039/c6cp05782a}, interhash = {c0be743b0309f8ac0f70184176566178}, intrahash = {391086ca778c0fd3862143b56268f606}, issn = {14639076}, journal = {Phys. Chem. Chem. Phys.}, keywords = {chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem}, number = 44, pages = {30241–30253}, timestamp = {2019-02-06T12:16:26.000+0100}, title = {{Revisiting the F + HCl → HF + Cl reaction using a multireference coupled-cluster method}}, url = {http://dx.doi.org/10.1039/c6cp05782a}, volume = 18, year = 2016 }