| 1. | T. Dudev; M. Devereux; M. Meuwly; C. Lim; J.-P. Piquemal; N. Gresh Quantum-Chemistry Based Calibration of the Alkali Metal Cation Series (Li(+) to Cs(+)) for Large-Scale Polarizable Molecular Mechanics/Dynamics Simulations Journal Article In: J. Comp. Chem., vol. 36, pp. 285-302, 2015. @article{MM.dudev.jcc:2015,
title = {Quantum-Chemistry Based Calibration of the Alkali Metal Cation Series (Li(+) to Cs(+)) for Large-Scale Polarizable Molecular Mechanics/Dynamics Simulations},
author = {T. Dudev and M. Devereux and M. Meuwly and C. Lim and J.-P. Piquemal and N. Gresh},
year = {2015},
date = {2015-01-01},
journal = {J. Comp. Chem.},
volume = {36},
pages = {285-302},
keywords = {Alkali Metal Cation, Molecular Dynamics, Molecular Mechanics, Quantum Chemistry},
pubstate = {published},
tppubtype = {article}
}
|
