Nonempirical force field development for CO2 interactions with metal-organic frameworks having open-metal sites

被引:0
|
作者
Dzubak, Allison L. [1 ]
Lin, Li-Chiang [2 ]
Poloni, Roberta [2 ]
Maximoff, Sergey N. [2 ]
Smit, Berend [2 ]
Gagliardi, Laura [1 ]
机构
[1] Univ Minnesota Twin Cities, Dept Chem, Minneapolis, MN 55455 USA
[2] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
602-FUEL
引用
收藏
页数:1
相关论文
共 50 条
  • [31] Tuning the functional sites in metal-organic frameworks to modulate CO2 heats of adsorption
    Das, Anita
    D'Alessandro, Deanna M.
    CRYSTENGCOMM, 2015, 17 (04): : 706 - 718
  • [32] Extension of the Universal Force Field for Metal-Organic Frameworks
    Coupry, Damien E.
    Addicoat, Matthew A.
    Heine, Thomas
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 12 (10) : 5215 - 5225
  • [33] Extension of the Universal Force Field to Metal-Organic Frameworks
    Addicoat, Matthew A.
    Vankova, Nina
    Akter, Ismot Farjana
    Heine, Thomas
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 10 (02) : 880 - 891
  • [34] Noble Gas Adsorption in Metal-Organic Frameworks Containing Open Metal Sites
    Perry, John J.
    Teich-McGoldrick, Stephanie L.
    Meek, Scott T.
    Greathouse, Jeffery A.
    Haranczyk, Maciej
    Allendorf, Mark D.
    JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 118 (22): : 11685 - 11698
  • [35] Acetylene Storage and Separation Using Metal-Organic Frameworks with Open Metal Sites
    Luna-Triguero, A.
    Vicent-Luna, J. M.
    Madero-Castro, R. M.
    Gomez-Alvarez, P.
    Calero, S.
    ACS APPLIED MATERIALS & INTERFACES, 2019, 11 (34) : 31499 - 31507
  • [36] Regulating Open Metal Sites in Metal-Organic Frameworks to Tame Luminescence Sensing
    Han, Zongsu
    Guo, Yifan
    Liang, Rongran
    Wang, Kun-Yu
    Yang, Yihao
    Mao, Yue
    Sun, Tiankai
    Wang, Mengmeng
    Garcia, Yann
    Taylor, Peter R.
    Shi, Wei
    Zhou, Hong-Cai
    CCS CHEMISTRY, 2025,
  • [37] Interactions of CO2 with metal oxide nanoclusters, metal organic frameworks, and clays
    Flores, Luis
    Thanthiriwatte, Kanchana
    Murphy, Julia
    Copeland, William
    Dixon, David
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
  • [38] Separations of arenes via interactions with two metal sites in metal-organic frameworks
    Milner, Phillip
    Gonzalez, Miguel
    Kapelewski, Matthew
    Lee, Jung-Hoon
    Neaton, Jeffrey
    Long, Jeffrey
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
  • [39] Metal-organic frameworks with enhanced CO2 capture ability
    Li, Jian-Rong
    Zhuang, Wenjuan
    Sculley, Julian
    Park, Jinhee
    Zhou, Hong-Cai
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 241
  • [40] Sequestraion of CO2 by gamma cyclodextrin metal-organic frameworks
    Drew, Morgan
    Manor, Brian
    Maslowski, Edward
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 255