| 1. | S. Käser; D. Koner; A. S. Christensen; O. A. von Lilienfeld; M. Meuwly ML Models of Vibrating H2CO: Comparing Reproducing Kernels, FCHL and PhysNet Journal Article In: J. Phys. Chem. A, vol. 124, pp. 8853–8865, 2020. @article{MM.kaeser.jpca:2020,
title = {ML Models of Vibrating H2CO: Comparing Reproducing Kernels, FCHL and PhysNet},
author = {S. Käser and D. Koner and A. S. Christensen and O. A. von Lilienfeld and M. Meuwly},
year = {2020},
date = {2020-10-31},
journal = {J. Phys. Chem. A},
volume = {124},
pages = {8853–8865},
keywords = {Computational Vibrational Spectroscopy, machine learning, physnet},
pubstate = {published},
tppubtype = {article}
}
|
| 2. | S. M. Salehi; D. Koner; M. Meuwly The Dynamics and Infrared Spectrocopy of Monomeric and Dimeric Wild Type and Mutant Insulin Journal Article In: J. Phys. Chem. B, vol. in print, 2020. @article{MM.salehi.jpcb:2020,
title = {The Dynamics and Infrared Spectrocopy of Monomeric and Dimeric Wild Type and Mutant Insulin},
author = {S. M. Salehi and D. Koner and M. Meuwly},
year = {2020},
date = {2020-01-01},
journal = {J. Phys. Chem. B},
volume = {in print},
keywords = {Computational Vibrational Spectroscopy, Insulin, Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
| 3. | 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}
}
|
| 4. | N. Plattner; M. Meuwly The Effect of Classical and Quantum Dynamics on Vibrational Frequency Shifts of H2 in Clathrate Hydrates Journal Article In: J. Chem. Phys., vol. 140, pp. 024311, 2014. @article{MM.h2:2014,
title = {The Effect of Classical and Quantum Dynamics on Vibrational Frequency Shifts of H2 in Clathrate Hydrates},
author = {N. Plattner and M. Meuwly},
year = {2014},
date = {2014-01-01},
journal = {J. Chem. Phys.},
volume = {140},
pages = {024311},
keywords = {Clathrate, Computational Vibrational Spectroscopy},
pubstate = {published},
tppubtype = {article}
}
|
| 5. | P. A. Cazade; T. Bereau; M. Meuwly Computational Two-Dimensional Infrared Spectroscopy Without Maps: N-Methylacetamide in Water Journal Article In: J. Phys. Chem. B, vol. 118, pp. 8135, 2014. @article{MM.nma:2014,
title = {Computational Two-Dimensional Infrared Spectroscopy Without Maps: N-Methylacetamide in Water},
author = {P. A. Cazade and T. Bereau and M. Meuwly},
year = {2014},
date = {2014-01-01},
journal = {J. Phys. Chem. B},
volume = {118},
pages = {8135},
keywords = {Computational Vibrational Spectroscopy, Multipolar Force Fields, NMA},
pubstate = {published},
tppubtype = {article}
}
|
