2021
|
| 1. | H. T. Turan; M. Meuwly Spectroscopy, Dynamics and Hydration of S-Nitrosylated Myoglobin Journal Article In: J. Phys. Chem. B, vol. 125, pp. 4262, 2021. @article{MM.turan.jpcb:2021,
title = {Spectroscopy, Dynamics and Hydration of S-Nitrosylated Myoglobin},
author = {H. T. Turan and M. Meuwly},
year = {2021},
date = {2021-01-01},
urldate = {2021-01-01},
journal = {J. Phys. Chem. B},
volume = {125},
pages = {4262},
keywords = {Dynamics, Hydration, Myoglobin, Spectroscopy},
pubstate = {published},
tppubtype = {article}
}
|
| 2. | 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}
}
|
2020
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| 3. | D. Koner; S. M. Salehi; P. Mondal; M. Meuwly Non-Conventional Force Fields for Applications in Spectroscopy and Chemical Reaction Dynamics Journal Article In: J. Chem. Phys., vol. 153, pp. 010901, 2020. @article{MM.koner.jcp:2020,
title = {Non-Conventional Force Fields for Applications in Spectroscopy and Chemical Reaction Dynamics},
author = {D. Koner and S. M. Salehi and P. Mondal and M. Meuwly},
year = {2020},
date = {2020-01-01},
journal = {J. Chem. Phys.},
volume = {153},
pages = {010901},
keywords = {Force fields, Molecular Simulation, Multipoles, Spectroscopy},
pubstate = {published},
tppubtype = {article}
}
|
2016
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| 4. | 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}
}
|
2015
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| 5. | P. A. Cazade; H. Tran; T. Bereau; A. K. Das; F. Klasi; P. Hamm; M. Meuwly Solvation of Fluoro-Acetonitrile in Water by 2D-IR Spectroscopy: a Combined Experimental-Computational Study Journal Article In: J. Chem. Phys., vol. 142, pp. 212415, 2015. @article{MM.cazade.jcp:2015,
title = {Solvation of Fluoro-Acetonitrile in Water by 2D-IR Spectroscopy: a Combined Experimental-Computational Study},
author = {P. A. Cazade and H. Tran and T. Bereau and A. K. Das and F. Klasi and P. Hamm and M. Meuwly},
year = {2015},
date = {2015-01-01},
journal = {J. Chem. Phys.},
volume = {142},
pages = {212415},
keywords = {2D IR, Fluoro-Acetonitrile, Solvation, Spectroscopy},
pubstate = {published},
tppubtype = {article}
}
|
2012
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| 6. | M. W. Lee; N. Plattner; M. Meuwly Structure, Spectroscopy and Dynamics of Layered H2O and CO2 Ices Journal Article In: PCCP, vol. 14, pp. 15464, 2012. @article{MM.lee.pccp:2012,
title = {Structure, Spectroscopy and Dynamics of Layered H2O and CO2 Ices},
author = {M. W. Lee and N. Plattner and M. Meuwly},
year = {2012},
date = {2012-01-01},
journal = {PCCP},
volume = {14},
pages = {15464},
keywords = {CO2, H2O, Ices, Spectroscopy, Structural Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
