New computational tools for modeling metal-organic frameworks

被引：0
|
作者：
Paesani, Francesco [1 ]
机构：
[1] Univ Calif San Diego, Chem & Biochem, La Jolla, CA 92093 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2015年 / 249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：
53
引用
收藏
页数：1
相关论文
共 50 条
  • [21] MOFomics: Computational pore characterization of metal-organic frameworks
    First, Eric L.
    Floudas, Christodoulos A.
    MICROPOROUS AND MESOPOROUS MATERIALS, 2013, 165 : 32 - 39
  • [22] Computational structure determination of novel metal-organic frameworks
    Wahiduzzaman, Mohammad
    Wang, Sujing
    Sikora, Benjamin J.
    Serre, Christian
    Maurin, Guillaume
    CHEMICAL COMMUNICATIONS, 2018, 54 (77) : 10812 - 10815
  • [23] Computational design of functionalized metal-organic frameworks for catalysis
    Gagliardi, Laura
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
  • [24] Next-Generation Computational and Experimental Tools for Understanding Nucleation and Growth of Metal-Organic Frameworks
    Bhawnani, Rajan R.
    Barreto, Orlando Mendible
    Podupu, Prem K. R.
    Colon, Yamil
    Giri, Gaurav
    Singh, Meenesh R.
    ACS MATERIALS LETTERS, 2025, 7 (03): : 906 - 927
  • [25] Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal-organic frameworks
    Arhangelskis, Mihails
    Katsenis, Athanassios D.
    Morris, Andrew J.
    Friscic, Tomislav
    CHEMICAL SCIENCE, 2018, 9 (13) : 3367 - 3375
  • [26] Metal-organic macrocycles, metal-organic polyhedra and metal-organic frameworks
    Prakash, M. Jaya
    Lah, Myoung Soo
    CHEMICAL COMMUNICATIONS, 2009, (23) : 3326 - 3341
  • [27] Computational Screening of Metal Catecholates for Ammonia Capture in Metal-Organic Frameworks
    Kim, Ki Chul
    Moghadam, Peyman Z.
    Fairen-Jimenez, David
    Snurr, Randall Q.
    INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2015, 54 (13) : 3257 - 3267
  • [28] Improved Predictive Tools for Structural Properties of Metal-Organic Frameworks
    Choudhuri, Indrani
    Truhlar, Donald G.
    MOLECULES, 2020, 25 (07):
  • [29] New linker installation in metal-organic frameworks
    Pang, Qingqing
    Tu, Binbin
    Li, Qiaowei
    DALTON TRANSACTIONS, 2019, 48 (32) : 12000 - 12008
  • [30] New mesoporous chiral metal-organic frameworks
    Kaskel, Stefan
    Senkovska, Irena
    Klein, Nicole
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 243
12345