Publications

Laura Nunes dos Santos Comprido, Johannes E. M. N. Klein, Gerald Knizia, Johannes Kästner, and A. Stephen K. Hashmi. On the Accessible Reaction Channels of Vinyl Gold(I) Species: π-and σ-Pathways. Chem. Eur. J., (23):10901–10905, 2017. [PUMA: catalysis, theoretische stuttgart chemistry, gold chemie allyldeauration, kaestner protodeauration from:alexanderdenzel kästner alkenes, computational theochem] URL

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