| 1. | T. Bereau; C. Kramer; F. W. Monnard; E. S. Nogueira; T. R. Ward; M. Meuwly Scoring Multipole Electrostatics in Condensed-Phase Atomistic Simulations Journal Article In: J. Phys. Chem. B, vol. 117, pp. 5460, 2013. @article{MM.bereau.jpcb:2013,
title = {Scoring Multipole Electrostatics in Condensed-Phase Atomistic Simulations},
author = {T. Bereau and C. Kramer and F. W. Monnard and E. S. Nogueira and T. R. Ward and M. Meuwly},
year = {2013},
date = {2013-01-01},
journal = {J. Phys. Chem. B},
volume = {117},
pages = {5460},
keywords = {Atomistic Simulations, Condensed Phase Simulations, Multipole Electrostatics},
pubstate = {published},
tppubtype = {article}
}
|
| 2. | 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}
}
|
