Use of the N–O Bonds in N-Mesyloxyamides and N-Mesyloxyimides To Gain Access to 5-Alkoxy-3,4-dialkyloxazol-2-ones and 3-Hetero-Substituted Succinimides: A Combined Experimental and Theoretical Study. Synthesis, (55)26:2460-2472, 2023. [PUMA: chemie from:kgugeler kaestner pn3 pn3-4(II) kästner theoretische EXC2075 stuttgart theochem]
Reaction dynamics on amorphous solid water surfaces using interatomic machine-learned potentials - Microscopic energy partition revealed from the P + H → PH reaction. Astron. Astrophys., (673):A51, 2023. [PUMA: EXC2075 chemie from:kgugeler kaestner kästner pn3 stuttgart theochem theoretische]
Positioning of grid points for spanning potential energy surfaces–How much effort is really needed?. J. Chem. Phys., (158)14:144118, 2023. [PUMA: myown theoretische EXC2075 stuttgart from:danielborn chemie kaestner pn3 kästner rauhut theochem] URL
Desorption of organic molecules from interstellar ices, combining experiments and computer simulations: Acetaldehyde as a case study. Astron. Astrophys., (664):A169, 2022. [PUMA: chemie kaestner pn3 kästner theoretische EXC2075 stuttgart from:danielborn theochem]
Hydrogen abstraction reactions in formic and thioformic acid isomers by hydrogen and deuterium atoms. Astron. Astrophys., (663):A41, 2022. [PUMA: EXC2075 chemie from:danielborn kaestner kästner pn3 stuttgart theochem theoretische]
Computational Study of the Hydrogenation Sequence of the Phosphorous Atom on Interstellar Dust Grains. Astrophys. J., (910):55, 2021. [PUMA: theoretische EXC2075 stuttgart from:danielborn chemie kaestner pn3 kästner theochem] URL
Gaussian Process Regression for Minimum Energy Path Optimization and Transition State Search. J. Phys. Chem. A, (123)44:9600-9611, 2019. [PUMA: EXC2075 chemie from:alexanderdenzel kaestner kästner pn3 stuttgart theochem theoretische] URL