Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase Simulations. El Hage, K., Bereau, T., Jakobsen, S., & Meuwly, M. Journal of Chemical Theory and Computation, 2016.
Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase Simulations [link]Paper  doi  bibtex   
@article{ElHage2016,
author = {{El Hage}, Krystel and Bereau, Tristan and Jakobsen, Sofie and Meuwly, Markus},
doi = {10.1021/acs.jctc.6b00202},
file = {:people/thnfs/homes/bereau/papers-me/2016{\_}mtpsigma{\_}jctc.pdf:pdf},
issn = {1549-9618},
journal = {Journal of Chemical Theory and Computation},
pages = {acs.jctc.6b00202},
title = {{Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase Simulations}},
url = {http://pubs.acs.org/doi/abs/10.1021/acs.jctc.6b00202},
year = {2016}
}

Downloads: 0