| 1. | P. Mondal; P. A. Cazade; A. K. Das; T. Bereau; M. Meuwly Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine-Trimer Journal Article In: J. Phys. Chem. B, vol. 125, pp. 10928, 2021. @article{MM.mondal.jpcb:2021,
title = {Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine-Trimer},
author = {P. Mondal and P. A. Cazade and A. K. Das and T. Bereau and M. Meuwly},
year = {2021},
date = {2021-01-01},
journal = {J. Phys. Chem. B},
volume = {125},
pages = {10928},
keywords = {Alanine-Trimer, Conformational Dynamics, Multipolar Force Fields, Spectroscopy},
pubstate = {published},
tppubtype = {article}
}
|
| 2. | J. L. Desmond; D. Koner; M. Meuwly Probing the Differential Dynamics of the Monomeric and Dimeric Insulin from Amide-I IR Spectroscopy Journal Article In: J. Phys. Chem. B, vol. 123, pp. 6588-6598, 2019. @article{MM.desmond.jpcb:2019,
title = {Probing the Differential Dynamics of the Monomeric and Dimeric Insulin from Amide-I IR Spectroscopy},
author = {J. L. Desmond and D. Koner and M. Meuwly},
year = {2019},
date = {2019-01-01},
journal = {J. Phys. Chem. B},
volume = {123},
pages = {6588-6598},
keywords = {Computational Infrared Spectroscopy, Insulin, Multipolar Force Fields},
pubstate = {published},
tppubtype = {article}
}
|
| 3. | S. Jakobsen; T. Bereau; M. Meuwly Multipolar Force Fields and Their Effects on Solvent Dynamics Around Simple Solutes Journal Article In: J. Phys. Chem. B, vol. 119, pp. 3034-3045, 2015. @article{MM.jakobsen.jpcb:2015,
title = {Multipolar Force Fields and Their Effects on Solvent Dynamics Around Simple Solutes},
author = {S. Jakobsen and T. Bereau and M. Meuwly},
year = {2015},
date = {2015-01-01},
journal = {J. Phys. Chem. B},
volume = {119},
pages = {3034-3045},
keywords = {Multipolar Force Fields, Solvent Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
| 4. | 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}
}
|
| 5. | C. Kramer; P. Gedeck; M. Meuwly Multipole-Based Force Fields from ab Initio Interaction Energies and the Need for Jointly Refitting all Intermolecular Parameters Journal Article In: J. Chem. Theo. Comput., vol. 9, pp. 1499, 2013. @article{MM.kramer.jctc:2013,
title = {Multipole-Based Force Fields from ab Initio Interaction Energies and the Need for Jointly Refitting all Intermolecular Parameters},
author = {C. Kramer and P. Gedeck and M. Meuwly},
year = {2013},
date = {2013-01-01},
journal = {J. Chem. Theo. Comput.},
volume = {9},
pages = {1499},
keywords = {Ab Initio Interaction Energies, Multipolar Force Fields},
pubstate = {published},
tppubtype = {article}
}
|
