Cretu, Miruna T. Department of Chemistry, Imperial College London; Molecular Physics, Fritz Haber Institute, Max Planck Society;
Pérez-Ríos, Jesús Molecular Physics, Fritz Haber Institute, Max Planck Society;
d0cp05509c.pdf (Publisher version), 3MB
Cretu, M. T., & Pérez-Ríos, J. (2021). Predicting second virial coefficients of organic and inorganic compounds using Gaussian process regression. Physical Chemistry Chemical Physics, 23(4), 2891-2898. doi:10.1039/D0CP05509C.