2020
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| 1. | B. C. Sweeny; H. Pan; A. Kassem; J. C. Sawyer; S. G. Ard; N. S. Shuman; A. A. Viggiano; S. Brickel; O. T. Unke; M. Upadhyay; M. Meuwly Thermal Activation of Methane by MgO + : Temperature Dependent Kinetics, Reactive Molecular Dynamics Simulations and Statistical Modeling Journal Article In: PCCP, vol. 22, pp. 8913-8923, 2020. @article{MM.sweeny.pccp:2020,
title = {Thermal Activation of Methane by MgO + : Temperature Dependent Kinetics, Reactive Molecular Dynamics Simulations and Statistical Modeling},
author = {B. C. Sweeny and H. Pan and A. Kassem and J. C. Sawyer and S. G. Ard and N. S. Shuman and A. A. Viggiano and S. Brickel and O. T. Unke and M. Upadhyay and M. Meuwly},
year = {2020},
date = {2020-01-01},
journal = {PCCP},
volume = {22},
pages = {8913-8923},
keywords = {Methane Activation, Reactive Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
2019
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| 2. | A. D. Dörfler; P. Eberle; D. Koner; M. Tomzsa; M. Meuwly; S. Willitsch Long-Range vs. Short-Range Effects in Cold Molecular Ion-Neutral Collisions: Charge Ex- + Change of Rb with N + 2 and O 2 Journal Article In: Nat. Commun., vol. 10, pp. 5429, 2019. @article{MM.doerfler.nc:2019,
title = {Long-Range vs. Short-Range Effects in Cold Molecular Ion-Neutral Collisions: Charge Ex- + Change of Rb with N + 2 and O 2},
author = {A. D. Dörfler and P. Eberle and D. Koner and M. Tomzsa and M. Meuwly and S. Willitsch},
year = {2019},
date = {2019-01-01},
journal = {Nat. Commun.},
volume = {10},
pages = {5429},
keywords = {Charge Transfer, Reactive Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
| 3. | U. Rivero; O. T. Unke; M. Meuwly; S. Willitsch
Reactive Atomistic Simulations of Diels-Alder Reactions: The Importance of Molecular Rotations Journal Article In: J. Chem. Phys., vol. 151, pp. 104301, 2019. @article{MM.rivero.jcp:2019,
title = {Reactive Atomistic Simulations of Diels-Alder Reactions: The Importance of Molecular Rotations},
author = {U. Rivero and O. T. Unke and M. Meuwly and S. Willitsch
},
year = {2019},
date = {2019-01-01},
journal = {J. Chem. Phys.},
volume = {151},
pages = {104301},
keywords = {diels-alder, Reactive Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
| 4. | D. Koner; O. T. Unke; K. Boe; R. J. Bemish; M. Meuwly Exhaustive State-to-State Cross Sections for Reactive Molecular Collisions from Importance Sampling Simulation and a Neural Network Representation Journal Article In: J. Chem. Phys., vol. 150, pp. 211101, 2019. @article{MM.koner.jcp:2019,
title = {Exhaustive State-to-State Cross Sections for Reactive Molecular Collisions from Importance Sampling Simulation and a Neural Network Representation},
author = {D. Koner and O. T. Unke and K. Boe and R. J. Bemish and M. Meuwly},
year = {2019},
date = {2019-01-01},
journal = {J. Chem. Phys.},
volume = {150},
pages = {211101},
keywords = {Hypersonics, Machine Lerning, Reactive Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
| 5. | M. Pezzella; M. Meuwly O 2 Formation in Cold Environments Journal Article In: PCCP, vol. 21, pp. 6247-6255, 2019. @article{MM.o2:2019,
title = {O 2 Formation in Cold Environments},
author = {M. Pezzella and M. Meuwly},
year = {2019},
date = {2019-01-01},
journal = {PCCP},
volume = {21},
pages = {6247-6255},
keywords = {Astrochemistry, oxygen formation, Reactive Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
| 6. | M. Meuwly Reactive Molecular Dynamics: from Small Molecules to Proteins Journal Article In: WIREs, vol. e1386, 2019. @article{MM.meuwly.w:2019,
title = {Reactive Molecular Dynamics: from Small Molecules to Proteins},
author = {M. Meuwly},
year = {2019},
date = {2019-01-01},
journal = {WIREs},
volume = {e1386},
keywords = {Reactive Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
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2017
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| 7. | U. Rivero; M. Meuwly; S. Willitsch A Computational Study of the Diels-Alder Reactions between 2,3-Dibromo-1,3-Butadiene and Maleic Anhydride Journal Article In: Chem. Phys. Lett., vol. 683, pp. 598-605, 2017. @article{MM.rivero.cpl:2017,
title = {A Computational Study of the Diels-Alder Reactions between 2,3-Dibromo-1,3-Butadiene and Maleic Anhydride},
author = {U. Rivero and M. Meuwly and S. Willitsch},
year = {2017},
date = {2017-01-01},
journal = {Chem. Phys. Lett.},
volume = {683},
pages = {598-605},
keywords = {diels-alder, Reactive Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
| 8. | S. Brickel; M. Meuwly
OH-Stretching Overtone Induced Dynamics in HSO3F from Reactive Molecular Dynamics Simulations Journal Article In: J. Phys. Chem. A, vol. 121, pp. 5079-5087, 2017. @article{MM.brickel.jpca:2017,
title = {OH-Stretching Overtone Induced Dynamics in HSO3F from Reactive Molecular Dynamics Simulations},
author = {S. Brickel and M. Meuwly
},
year = {2017},
date = {2017-01-01},
journal = {J. Phys. Chem. A},
volume = {121},
pages = {5079-5087},
keywords = {Atmospheric Reactions, H, Reactive Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
| 9. | O. Denis-Alpizar; R. J. Bemish; M. Meuwly Reactive Collisions for NO((II)-I-2) + N(S-4) at Temperatures Relevant to the Hypersonic Flight Regime Journal Article In: PCCP, vol. 19, pp. 2392-2401, 2017. @article{MM.denisalpizar.pccp:2017,
title = {Reactive Collisions for NO((II)-I-2) + N(S-4) at Temperatures Relevant to the Hypersonic Flight Regime},
author = {O. Denis-Alpizar and R. J. Bemish and M. Meuwly},
year = {2017},
date = {2017-01-01},
journal = {PCCP},
volume = {19},
pages = {2392-2401},
keywords = {Hypersonics, N2O, Reactive Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
2014
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| 10. | T. Nagy; J. Yosa-Reyes; M. Meuwly Multi-Surface Adiabatic Reactive Molecular Dynamics Journal Article In: J. Chem. Theo. Comput., vol. 10, pp. 1366, 2014. @article{MM.msarmd:2014,
title = {Multi-Surface Adiabatic Reactive Molecular Dynamics},
author = {T. Nagy and J. Yosa-Reyes and M. Meuwly},
year = {2014},
date = {2014-01-01},
journal = {J. Chem. Theo. Comput.},
volume = {10},
pages = {1366},
keywords = {Reactive Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
