Publications

Sean McConnell, and Johannes Kästner. Instanton rate constant calculations close to and above the crossover temperature. J. Comput. Chem., (38):2570–2580, 2017. [PUMA: reaction instanton software theory, tunneling, update reactivity, theoretische stuttgart chemistry, chemie low-temperature kaestner from:alexanderdenzel kästner computational atom theochem rate,] URL