Large-Scale Refinement of Metal−Organic Framework Structures Using Density Functional Theory

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@article{8fb5776eba9f4a7a9b3445099837df86,

title = "Large-Scale Refinement of Metal−Organic Framework Structures Using Density Functional Theory",

author = "Dalar Nazarian and Camp, \{Jeffrey S.\} and Chung, \{Yongchul G.\} and Snurr, \{Randall Q.\} and Sholl, \{David S.\}",

year = "2017",

doi = "10.1021/acs.chemmater.6b04226",

language = "English (US)",

volume = "29",

pages = "2521--2528",

journal = "Chemistry of Materials",

issn = "0897-4756",

publisher = "American Chemical Society",

number = "6",

}

TY - JOUR

T1 - Large-Scale Refinement of Metal−Organic Framework Structures Using Density Functional Theory

AU - Nazarian, Dalar

AU - Camp, Jeffrey S.

AU - Chung, Yongchul G.

AU - Snurr, Randall Q.

AU - Sholl, David S.

PY - 2017

Y1 - 2017

U2 - 10.1021/acs.chemmater.6b04226

DO - 10.1021/acs.chemmater.6b04226

M3 - Article

SN - 0897-4756

VL - 29

SP - 2521

EP - 2528

JO - Chemistry of Materials

JF - Chemistry of Materials

IS - 6

ER -