Items where Author is "Brickel, Sebastian"

2022

Turan, Haydar Taylan and Brickel, Sebastian and Meuwly, Markus. (2022) Solvent Effects on the Menshutkin Reaction. Journal of Physical Chemistry B, 126 (9). pp. 1951-1961.

2020

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.

2019

Brickel, Sebastian and Meuwly, Markus. (2019) Molecular Determinants for Rate Acceleration in the Claisen Rearrangement Reaction. Journal of Physical Chemistry B, 123 (2). pp. 448-456.

Brickel, Sebastian and Das, Akshaya Kumar and Unke, Oliver Thorsten and Turan, Haydar Taylan and Meuwly, Markus. (2019) Reactive molecular dynamics for the [Cl–CH3–Br]− reaction in the gas phase and in solution: a comparative study using empirical and neural network force fields. Electronic Structure, 1 (2). 024002.

Brickel, Sebastian. Reactive molecular dynamics: from small molecules in gas phase to enzymatic reactions. 2019, Doctoral Thesis, University of Basel, Faculty of Science.

Unke, Oliver T. and Brickel, Sebastian and Meuwly, Markus. (2019) Sampling reactive regions in phase space by following the minimum dynamic path. Journal of Chemical Physics, 150 (7). 074107.

2018

El Hage, Krystel and Brickel, Sebastian and Hermelin, Sylvain and Gaulier, Geoffrey and Schmidt, Cédric and Bonacina, Luigi and van Keulen, Siri C. and Bhattacharyya, Swarnendu and Chergui, Majed and Hamm, Peter and Rothlisberger, Ursula and Wolf, Jean-Pierre and Meuwly, Markus. (2018) Implications of short time scale dynamics on long time processes. Structural Dynamics, 4 (6). 061507.

2017

Bircher, Martin P. and Liberatore, Elisa and Browning, Nicholas J. and Brickel, Sebastian and Hofmann, Cornelia and Patoz, Aurélien and Unke, Oliver T. and Zimmermann, Tomáš and Chergui, Majed and Hamm, Peter and Keller, Ursula and Meuwly, Markus and Woerner, Hans-Jakob and Vaníček, Jiří and Rothlisberger, Ursula. (2017) Nonadiabatic effects in electronic and nuclear dynamics. Structural Dynamics, 4 (6). 061510.

Brickel, Sebastian and Meuwly, Markus. (2017) OH-Stretching Overtone Induced Dynamics in HSO₃F from Reactive Molecular Dynamics Simulations. Journal of Physical Chemistry A, 121 (27). pp. 5079-5087.

2016

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.