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Items where Author is "Unke, Oliver T."

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Kaser, Silvan and Unke, Oliver T. and Meuwly, Markus. (2020) Isomerization and decomposition reactions of acetaldehyde relevant to atmospheric processes from dynamics simulations on neural network-based potential energy surfaces. Journal of Chemical Physics, 152 (21). p. 1.

Kaser, Silvan and Unke, Oliver T. and Meuwly, Markus. (2020) Reactive dynamics and spectroscopy of hydrogen transfer from neural network-based reactive potential energy surfaces. New Journal of Physics, 22 (5). 055002.

Sweeny, Brendan C. and Pan, Hanqing and Kassem, Asmaa and Sawyer, Jordan C. and Ard, Shaun G. and Shuman, Nicholas S. and Viggiano, Albert A. and Brickel, Sebastian and Unke, Oliver T. and Upadhyay, Meenu and Meuwly, Markus. (2020) Thermal Activation of Methane by MgO+: Temperature Dependent Kinetics, Reactive Molecular Dynamics Simulations and Statistical Modeling. Physical Chemistry Chemical Physics, 22 (16). pp. 8913-8923.

Rivero, Uxia and Unke, Oliver T. and Meuwly, Markus and Willitsch, Stefan. (2019) Reactive atomistic simulations of Diels-Alder reactions: The importance of molecular rotations. Journal of Chemical Physics, 151 (10). p. 104301.

Hoffmann, Viktor and Le Pleux, Loic and Haussinger, Daniel and Unke, Oliver T. and Prescimone, Alessandro and Mayor, Marcel. (2017) Deltoid versus Rhomboid: Controlling the Shape of Bis-ferrocene Macrocycles by the Bulkiness of the Substituents. Organometallics, 36 (4). pp. 858-866.

Unke, Oliver T. and Castro-Palacio, Juan Carlos and Bemish, Raymond J. and Meuwly, Markus. (2016) Collision-induced rotational excitation in N2 (+)((2)Σg (+),v=0)-Ar: Comparison of computations and experiment. Journal of Chemical Physics, 144 (22). p. 224307.

Yosa Reyes, Juvenal and Brickel, Sebastian and Unke, Oliver T. and Nagy, Tibor and Meuwly, Markus. (2016) HSO3Cl: a prototype molecule for studying OH-stretching overtone induced photodissociation. Physical Chemistry Chemical Physics, 18 (9). pp. 6780-6788.

Rickhaus, Michel and Unke, Oliver T. and Mannancherry, Rajesh and Bannwart, Linda M. and Neuburger, Markus and Häussinger, Daniel and Mayor, Marcel. (2015) Tuning Helical Chirality in Polycyclic Ladder Systems. Chemistry - A European Journal, 21 (50). pp. 18156-18167.

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