A Comprehensive Set of High-Quality Point Charges for Simulations of Metal–Organic Frameworks

Dalar Nazarian, Jeffrey S. Camp, David S. Sholl

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@article{4870b151d9be43fd9ce6e9c8e56d7269,

title = "A Comprehensive Set of High-Quality Point Charges for Simulations of Metal–Organic Frameworks",

author = "Dalar Nazarian and Camp, {Jeffrey S.} and Sholl, {David S.}",

year = "2016",

doi = "10.1021/acs.chemmater.5b03836",

language = "English (US)",

volume = "28",

pages = "785--793",

journal = "Chemistry of Materials",

issn = "0897-4756",

publisher = "American Chemical Society",

number = "3",

}

TY - JOUR

T1 - A Comprehensive Set of High-Quality Point Charges for Simulations of Metal–Organic Frameworks

AU - Nazarian, Dalar

AU - Camp, Jeffrey S.

AU - Sholl, David S.

PY - 2016

Y1 - 2016

U2 - 10.1021/acs.chemmater.5b03836

DO - 10.1021/acs.chemmater.5b03836

M3 - Article

SN - 0897-4756

VL - 28

SP - 785

EP - 793

JO - Chemistry of Materials

JF - Chemistry of Materials

IS - 3

ER -