Verification of selected relationships for fractally porous solids by using adsorption isotherms calculated from density functional theory

被引:0
|
作者
Kent State Univ, Kent, United States [1 ]
机构
来源
Surf Sci | / 1-3卷 / L1127-L1130期
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
下载
收藏
相关论文
共 50 条
  • [31] Dielectric Response of High Explosives at THz Frequencies Calculated Using Density Functional Theory
    Huang, L.
    Shabaev, A.
    Lambrakos, S. G.
    Bernstein, N.
    Jacobs, V.
    Finkenstadt, D.
    Massa, L.
    JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE, 2012, 21 (07) : 1120 - 1132
  • [32] IR absorption spectra for chlorinated ethenes in water, calculated using density functional theory
    Huang, L.
    Lambrakos, S. G.
    Massa, L.
    MULTISCALE AND MULTIDISCIPLINARY MODELING EXPERIMENTS AND DESIGN, 2019, 2 (03) : 175 - 183
  • [33] Torsional barriers of substituted biphenyls calculated using density functional theory: a benchmarking study
    Masson, Eric
    ORGANIC & BIOMOLECULAR CHEMISTRY, 2013, 11 (17) : 2859 - 2871
  • [34] Characterization of porous materials using density functional theory and molecular simulation
    Lastoskie, CM
    Gubbins, KE
    CHARACTERIZATION OF POROUS SOLIDS V, 2000, 128 : 41 - 50
  • [35] Relationship between the radical-scavenging activity of selected flavonols and thermodynamic parameters calculated by density functional theory
    Nakanishi, Ikuo
    Ohkubo, Kei
    Shoji, Yoshimi
    Fujitaka, Yuya
    Shimoda, Kei
    Matsumoto, Ken-ichiro
    Fukuhara, Kiyoshi
    Hamada, Hiroki
    FREE RADICAL RESEARCH, 2020, 54 (07) : 535 - 539
  • [36] Adsorption of Acetylene on CuCl(111) Surfaces Using Density Functional Theory
    Jiang, Lihua
    Kang, Lihua
    Dai, Bin
    Zhang, Jinli
    ASIAN JOURNAL OF CHEMISTRY, 2013, 25 (16) : 8859 - 8862
  • [37] Hydrogen adsorption study on mixed oxides using the density functional theory
    Salam, M. Abdus
    Sufian, Suriati
    Lwin, Ye
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2013, 74 (04) : 558 - 564
  • [38] Improving band gap prediction by density functional theory: From atoms to solids
    Zheng, Xiao
    Cohen, Aron J.
    Mori-Sanchez, Paula
    Yang, Weitao
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 240
  • [39] Improving band gap prediction in density functional theory from molecules to solids
    Zheng, Xiao
    Cohen, Aron J.
    Mori-Sanchez, Paula
    Hu, Xiangqian
    Yang, Weitao
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 243
  • [40] Improving Band Gap Prediction in Density Functional Theory from Molecules to Solids
    Zheng, Xiao
    Cohen, Aron J.
    Mori-Sanchez, Paula
    Hu, Xiangqian
    Yang, Weitao
    PHYSICAL REVIEW LETTERS, 2011, 107 (02)