| 1. | 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}
}
|
| 2. | 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}
}
|
| 3. | C. Kramer; P. Gedeck; M. Meuwly Atomic Multipoles: Electrostatic Potential Fit, Local Reference Axis Systems and Conformational Dependence Journal Article In: J. Comp. Chem., vol. 33, pp. 1673, 2012. @article{MM.kramer.jcc:2012,
title = {Atomic Multipoles: Electrostatic Potential Fit, Local Reference Axis Systems and Conformational Dependence},
author = {C. Kramer and P. Gedeck and M. Meuwly},
year = {2012},
date = {2012-01-01},
journal = {J. Comp. Chem.},
volume = {33},
pages = {1673},
keywords = {Axis Systems, Conformational Dependence, Multipole Electrostatics, Static Atomic Multipoles},
pubstate = {published},
tppubtype = {article}
}
|
