@article {CPHC:CPHC201500504,
author = {Pham, Tony and Forrest, Katherine A. and Gao, Wen-Yang and Ma, Shengqian and Space, Brian},
title = {Theoretical Insights into the Tuning of Metal Binding Sites of Paddlewheels in rht-Metal–Organic Frameworks},
journal = {ChemPhysChem},
volume = {16},
number = {15},
issn = {1439-7641},
url = {http://dx.doi.org/10.1002/cphc.201500504},
doi = {10.1002/cphc.201500504},
pages = {3170--3179},
keywords = {copper, metal–organic frameworks, Monte Carlo simulations, partial charges, polarization},
year = {2015},
}