| Year |
Citation |
Score |
| 2022 |
Brickel S, Demkiv AO, Crean RM, Pinto GP, Kamerlin SCL. Q-RepEx: A Python pipeline to increase the sampling of empirical valence bond simulations. Journal of Molecular Graphics & Modelling. 119: 108402. PMID 36610324 DOI: 10.1016/j.jmgm.2022.108402 |
0.561 |
|
| 2022 |
Turan HT, Brickel S, Meuwly M. Solvent Effects on the Menshutkin Reaction. The Journal of Physical Chemistry. B. PMID 35196449 DOI: 10.1021/acs.jpcb.1c09710 |
0.508 |
|
| 2020 |
Sweeny BC, Pan H, Kassem A, Sawyer JC, Ard SG, Shuman NS, Viggiano AA, Brickel S, Unke OT, Upadhyay M, Meuwly M. Thermal activation of methane by MgO: temperature dependent kinetics, reactive molecular dynamics simulations and statistical modeling. Physical Chemistry Chemical Physics : Pccp. PMID 32292975 DOI: 10.1039/D0Cp00668H |
0.721 |
|
| 2019 |
Unke OT, Brickel S, Meuwly M. Sampling reactive regions in phase space by following the minimum dynamic path. The Journal of Chemical Physics. 150: 074107. PMID 30795657 DOI: 10.1063/1.5082885 |
0.774 |
|
| 2019 |
Brickel S, Das AK, Unke OT, Turan HT, Meuwly M. Reactive molecular dynamics for the [Cl–CH
3
–Br]
−
reaction in the gas phase and in solution: a comparative study using empirical and neural network force fields Electronic Structure. 1: 024002. DOI: 10.1088/2516-1075/AB1EDB |
0.699 |
|
| 2018 |
Brickel S, Meuwly M. Molecular Determinants for the Rate Acceleration in the Claisen Rearrangement Reaction. The Journal of Physical Chemistry. B. PMID 30540184 DOI: 10.1021/Acs.Jpcb.8B11059 |
0.545 |
|
| 2018 |
El Hage K, Brickel S, Hermelin S, Gaulier G, Schmidt C, Bonacina L, van Keulen SC, Bhattacharyya S, Chergui M, Hamm P, Rothlisberger U, Wolf JP, Meuwly M. Erratum: Publisher's Note: "Implications of short time scale dynamics on long time processes" (Struct. Dyn. 4, 061507 (2017)]. Structural Dynamics (Melville, N.Y.). 5: 019901. PMID 29345692 DOI: 10.1063/1.5020803 |
0.713 |
|
| 2017 |
Bircher MP, Liberatore E, Browning NJ, Brickel S, Hofmann C, Patoz A, Unke OT, Zimmermann T, Chergui M, Hamm P, Keller U, Meuwly M, Woerner HJ, Vaníček J, Rothlisberger U. Nonadiabatic effects in electronic and nuclear dynamics. Structural Dynamics (Melville, N.Y.). 4: 061510. PMID 29376108 DOI: 10.1063/1.4996816 |
0.731 |
|
| 2017 |
El Hage K, Brickel S, Hermelin S, Gaulier G, Schmidt C, Bonacina L, van Keulen SC, Bhattacharyya S, Chergui M, Hamm P, Rothlisberger U, Wolf JP, Meuwly M. Implications of short time scale dynamics on long time processes. Structural Dynamics (Melville, N.Y.). 4: 061507. PMID 29308419 DOI: 10.1063/1.4996448 |
0.766 |
|
| 2017 |
Brickel S, Meuwly M. OH-Stretching Overtone Induced Dynamics in HSO3F from Reactive Molecular Dynamics Simulations. The Journal of Physical Chemistry. A. PMID 28616984 DOI: 10.1021/Acs.Jpca.7B02950 |
0.616 |
|
| 2016 |
Yosa Reyes J, Brickel S, Unke OT, Nagy T, Meuwly M. HSO3Cl: a prototype molecule for studying OH-stretching overtone induced photodissociation. Physical Chemistry Chemical Physics : Pccp. PMID 26878435 DOI: 10.1039/C5Cp07319G |
0.748 |
|
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