| 1. | O. T. Unke; M. Devereux; M. Meuwly Minimal distributed charges: Multipolar quality at the cost of point charge electrostatics Journal Article In: J. Chem. Phys., vol. 147, pp. 161712, 2017. @article{MM.charge:2017,
title = {Minimal distributed charges: Multipolar quality at the cost of point charge electrostatics},
author = {O. T. Unke and M. Devereux and M. Meuwly},
year = {2017},
date = {2017-01-01},
journal = {J. Chem. Phys.},
volume = {147},
pages = {161712},
keywords = {Electrostatics, Multipolar Quality},
pubstate = {published},
tppubtype = {article}
}
|
| 2. | K. El Hage; T. Bereau; S. Jakobsen; M. Meuwly Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed Phase Simulations Journal Article In: J. Chem. Theo. Comp., vol. 12, pp. 3008-3019, 2016. @article{MM.elhage.jctc:2016,
title = {Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed Phase Simulations},
author = {K. El Hage and T. Bereau and S. Jakobsen and M. Meuwly},
year = {2016},
date = {2016-01-01},
journal = {J. Chem. Theo. Comp.},
volume = {12},
pages = {3008-3019},
keywords = {Condensed Phase Simulations, Electrostatics, Sigma-Hole},
pubstate = {published},
tppubtype = {article}
}
|
| 3. | C. Kramer; T. Bereau; A. Spinn; K. R. Liedl; P. Gedeck; M. Meuwly Deriving Static Atomic Multipoles from the Electrostatic Potential Journal Article In: J. Chem. Inf. Model., vol. 53, pp. 3410, 2013. @article{MM.kramer.jcim:2013,
title = {Deriving Static Atomic Multipoles from the Electrostatic Potential},
author = {C. Kramer and T. Bereau and A. Spinn and K. R. Liedl and P. Gedeck and M. Meuwly},
year = {2013},
date = {2013-01-01},
journal = {J. Chem. Inf. Model.},
volume = {53},
pages = {3410},
keywords = {Electrostatics, Static Atomic Multipoles},
pubstate = {published},
tppubtype = {article}
}
|
| 4. | T. Bereau; C. Kramer; M. Meuwly Leveraging Symmetries of Static Atomic Multipole Electrostatics in Molecular Dynamics Simulations Journal Article In: J. Chem. Theo. Comput., vol. 9, pp. 5450, 2013. @article{MM.bereau.jctc:2013,
title = {Leveraging Symmetries of Static Atomic Multipole Electrostatics in Molecular Dynamics Simulations},
author = {T. Bereau and C. Kramer and M. Meuwly},
year = {2013},
date = {2013-01-01},
journal = {J. Chem. Theo. Comput.},
volume = {9},
pages = {5450},
keywords = {Electrostatics, Molecular Dynamics, Static Atomic Multipoles},
pubstate = {published},
tppubtype = {article}
}
|
