Molecular dynamics simulations of uranyl-peroxide nanocapsules in aqueous solution

被引:0
|
作者
Vlaisavljevich, Bess [1 ,2 ]
Miro, Pere [1 ,2 ]
Hu, Shuxian [1 ,2 ]
Dzubak, Allison [1 ,2 ]
Spezia, Riccardo [3 ]
Cramer, Christopher J. [1 ,2 ]
Gagliardi, Laura [1 ,2 ]
机构
[1] Chem Theory Ctr, Dept Chem, Minneapolis, MN 55455 USA
[2] Univ Minnesota, Inst Supercomp, Minneapolis, MN 55455 USA
[3] Univ Evry Val dEssonne, CNRS, Lab Anal & Modelisat Biol & Environm, F-91025 Evry, France
来源
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2013年 / 245卷
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
71-COMP
引用
收藏
页数:1
相关论文
共 50 条
  • [31] On the Origin of the Cation Templated Self-Assembly of Uranyl-Peroxide Nanoclusters
    Miro, Pere
    Pierrefixe, Simon
    Gicquel, Mickael
    Gil, Adria
    Bo, Carlos
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2010, 132 (50) : 17787 - 17794
  • [32] Conformational dynamics of aqueous hydrogen peroxide from first principles molecular dynamics simulations
    Biswas, Aritri
    Mallik, Bhabani S.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 22 (48) : 28286 - 28296
  • [33] Expanding the Crystal Chemistry of Uranyl Peroxides: Four Hybrid Uranyl-Peroxide Structures Containing EDTA
    Qiu, Jie
    Ling, Jie
    Sieradzki, Claire
    Nguyen, Kevin
    Wylie, Ernest M.
    Szymanowski, Jennifer E. S.
    Burns, Peter C.
    INORGANIC CHEMISTRY, 2014, 53 (22) : 12084 - 12091
  • [34] Structure and Dynamics of Aqueous Solution of Uranyl Ions
    Chopra, Manish
    Choudhury, Niharendu
    SOLID STATE PHYSICS: PROCEEDINGS OF THE 58TH DAE SOLID STATE PHYSICS SYMPOSIUM 2013, PTS A & B, 2014, 1591 : 164 - 166
  • [35] Solubility studies of uranyl peroxide cage clusters in aqueous solution
    Turner, Kate M.
    Szymanowski, Jennifer
    Wallace, Christine M.
    Burns, Peter C.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 241
  • [36] Molecular dynamics simulations of the interaction of glucose with imidazole in aqueous solution
    Chen, Mo
    Bomble, Yannick J.
    Himmel, Michael E.
    Brady, John W.
    CARBOHYDRATE RESEARCH, 2012, 349 : 73 - 77
  • [37] Molecular dynamics simulations on the special system of TFE aqueous solution
    Zhang, Rong
    Tan, Zai-You
    Zheng, Dun-Sheng
    Luo, San-Lai
    Li, Hao-Ran
    ACTA PHYSICO-CHIMICA SINICA, 2008, 24 (03) : 428 - 432
  • [38] Molecular dynamics simulations of the two disaccharides of hyaluronan in aqueous solution
    Almond, A
    Sheehan, JK
    Brass, A
    GLYCOBIOLOGY, 1997, 7 (05) : 597 - 604
  • [39] Cation-Directed Isomerization of the U28 Uranyl-Peroxide Cluster
    Oliveri, Anna F.
    Colla, Christopher A.
    Callahan, Joseph R.
    Bogard, Gwendolyn
    Qiu, Jie
    Dembowski, Mateusz
    Burns, Peter C.
    Casey, William H.
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2017, (46) : 5429 - 5433
  • [40] Molecular Dynamics Simulations of Uranyl and Uranyl Carbonate Adsorption at Aluminosilicate Surfaces
    Kerisit, Sebastien
    Liu, Chongxuan
    ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2014, 48 (07) : 3899 - 3907