@article {doi:10.1063/1.4933137, title = {Gaussian process model for extrapolation of scattering observables for complex molecules: From benzene to benzonitrile}, journal = {Journal of Chemical Physics}, volume = {143}, number = {15}, year = {2015}, pages = {154101}, doi = {10.1063/1.4933137}, url = {https://doi.org/10.1063/1.4933137}, author = {Cui,Jie and Li,Zhiying and Krems,Roman V.} }