| 1. | M. Devereux; N. Gresh; J. P. Piquemal; M. Meuwly A Supervised Fitting Approach to Force Field Parametrization with Application to the SIBFA Polarizable Force Field Journal Article In: J. Comput. Chem., vol. 35, pp. 1577-1591, 2014. @article{MM.devereux.jcc:2014,
title = {A Supervised Fitting Approach to Force Field Parametrization with Application to the SIBFA Polarizable Force Field},
author = {M. Devereux and N. Gresh and J. P. Piquemal and M. Meuwly},
year = {2014},
date = {2014-01-01},
journal = {J. Comput. Chem.},
volume = {35},
pages = {1577-1591},
keywords = {Force Field, SIBFA},
pubstate = {published},
tppubtype = {article}
}
|
| 2. | M. H. Schmid; T. R. Ward; M. Meuwly Towards a Broadly Applicable Force Field for d6-Piano Stool Complexes Journal Article In: J. Chem. Theo. Comput., vol. 9, pp. 2313, 2013. @article{MM.schmid.jctc:2013,
title = {Towards a Broadly Applicable Force Field for d6-Piano Stool Complexes},
author = {M. H. Schmid and T. R. Ward and M. Meuwly},
year = {2013},
date = {2013-01-01},
journal = {J. Chem. Theo. Comput.},
volume = {9},
pages = {2313},
keywords = {D6-Piano Stool Complexes, Force Field},
pubstate = {published},
tppubtype = {article}
}
|
| 3. | M. Devereux; M. Meuwly Force Field Optimization Using Dynamics and Ensemble-Averaged Data: Vibrational Spectra and Relaxation in Bound MbCO Journal Article In: J. Chem. Inf. Model., vol. 50, pp. 349, 2010. @article{MM.devereux.jcim:2010,
title = {Force Field Optimization Using Dynamics and Ensemble-Averaged Data: Vibrational Spectra and Relaxation in Bound MbCO},
author = {M. Devereux and M. Meuwly},
year = {2010},
date = {2010-01-01},
journal = {J. Chem. Inf. Model.},
volume = {50},
pages = {349},
keywords = {Force Field, MbCO, vibrational relaxation},
pubstate = {published},
tppubtype = {article}
}
|
| 4. | I. Tubaert-Brohman; M. Schmid; M. Meuwly Molecular Mechanics Force Field for Octahedral Organometallic Compounds with Inclusion of the Trans Influence Journal Article In: JCTC, vol. 5, pp. 530, 2009. @article{MM.tubaert-brohman.jctc:2009,
title = {Molecular Mechanics Force Field for Octahedral Organometallic Compounds with Inclusion of the Trans Influence},
author = {I. Tubaert-Brohman and M. Schmid and M. Meuwly},
year = {2009},
date = {2009-01-01},
journal = {JCTC},
volume = {5},
pages = {530},
keywords = {Force Field, Molecular Mechanics, Octahedral Organometallic Compounds, Trans Influence},
pubstate = {published},
tppubtype = {article}
}
|
