2020
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| 1. | S. Käser; O. T. Unke; M. Meuwly Reactive Dynamics and Spectroscopy of Hydrogen Transfer from Neural Network-Based Reactive Potential Energy Surfaces Journal Article In: New J. Phys., vol. 22, pp. 055002, 2020. @article{MM.kaeser.njp:2020,
title = {Reactive Dynamics and Spectroscopy of Hydrogen Transfer from Neural Network-Based Reactive Potential Energy Surfaces},
author = {S. Käser and O. T. Unke and M. Meuwly},
year = {2020},
date = {2020-01-01},
journal = {New J. Phys.},
volume = {22},
pages = {055002},
keywords = {machine learning, Molecular Simulations, Neural Networks, Proton Transfer},
pubstate = {published},
tppubtype = {article}
}
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2017
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| 2. | Z.-H. Xu; M. Meuwly Vibrational Spectroscopy and Proton Transfer Dynamics in Protonated Oxalate Journal Article In: J. Phys. Chem. A, vol. 121, pp. 5389-5398, 2017. @article{MM.xu.jpca:2017,
title = {Vibrational Spectroscopy and Proton Transfer Dynamics in Protonated Oxalate},
author = {Z.-H. Xu and M. Meuwly},
year = {2017},
date = {2017-01-01},
journal = {J. Phys. Chem. A},
volume = {121},
pages = {5389-5398},
keywords = {Computational Vibrational Spectroscopy, MMPT, Proton Transfer},
pubstate = {published},
tppubtype = {article}
}
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2016
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| 3. | K. Mackeprang; Z.-H. Xu; Z. Maroun; M. Meuwly; H. G. Kjaergaard Spectroscopy and Dynamics of Double Proton Transfer in Formic Acid Dimer Journal Article In: PCCP, vol. 18, pp. 24654-24662, 2016. @article{MM.mackeprang.pccp:2016,
title = {Spectroscopy and Dynamics of Double Proton Transfer in Formic Acid Dimer},
author = {K. Mackeprang and Z.-H. Xu and Z. Maroun and M. Meuwly and H. G. Kjaergaard},
year = {2016},
date = {2016-01-01},
journal = {PCCP},
volume = {18},
pages = {24654-24662},
keywords = {Formic Acid Dimer, Proton Transfer, Spectroscopy},
pubstate = {published},
tppubtype = {article}
}
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| 4. | L. MacAleese; S. Hermelin; K. El Hage; P. Chouzenoux; A. Kulesza; R. Antoine; L. Bonacina; M. Meuwly; J.-P. Wolf; P. Dugourd Sequential Proton Coupled Electron Transfer (PCET): Dynamics Observed over 8 Orders of Magnitude in Time Journal Article In: J. Am. Chem. Soc., vol. 138, pp. 4401-4407, 2016. @article{MM.macaleese.jacs:2016,
title = {Sequential Proton Coupled Electron Transfer (PCET): Dynamics Observed over 8 Orders of Magnitude in Time},
author = {L. MacAleese and S. Hermelin and K. El Hage and P. Chouzenoux and A. Kulesza and R. Antoine and L. Bonacina and M. Meuwly and J.-P. Wolf and P. Dugourd},
year = {2016},
date = {2016-01-01},
journal = {J. Am. Chem. Soc.},
volume = {138},
pages = {4401-4407},
keywords = {PCET, Proton Transfer},
pubstate = {published},
tppubtype = {article}
}
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2014
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| 5. | J. Huang; M. Buchowiecki; T. Nagy; J. Vanı́ček; M. Meuwly Kinetic Isotope Effect in Malonaldehyde from Path Integral Monte Carlo Simulations Journal Article In: PCCP, vol. 16, pp. 204, 2014. @article{MM.malon:2014,
title = {Kinetic Isotope Effect in Malonaldehyde from Path Integral Monte Carlo Simulations},
author = {J. Huang and M. Buchowiecki and T. Nagy and J. Vanı́ček and M. Meuwly},
year = {2014},
date = {2014-01-01},
journal = {PCCP},
volume = {16},
pages = {204},
keywords = {Malonaldehyde, Proton Transfer},
pubstate = {published},
tppubtype = {article}
}
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2011
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| 6. | S. Lutz; Y. Yang; I. Tubaert-Brohman; M. Meuwly Water-Assisted Proton Transfer in Ferredoxin I Journal Article In: J. Biol. Chem., vol. 286, pp. 23679, 2011. @article{MM.lutz.jbc:2011,
title = {Water-Assisted Proton Transfer in Ferredoxin I},
author = {S. Lutz and Y. Yang and I. Tubaert-Brohman and M. Meuwly},
year = {2011},
date = {2011-01-01},
journal = {J. Biol. Chem.},
volume = {286},
pages = {23679},
keywords = {Ferrodoxin, Proton Transfer},
pubstate = {published},
tppubtype = {article}
}
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