X-ray diffraction and periodic DFT calculations for modelling of hydrogen atoms in a mineral - pinnoite

被引:0
|
作者
Stachowicz, M. [1 ]
Huc, A. [1 ]
Hoser, A. [2 ]
Wozniak, K. [2 ]
机构
[1] Univ Warsaw, Dept Geochem Mineral & Petrol, Fac Geol, Warsaw, Poland
[2] Univ Warsaw, Dept Chem, Biol & Chem Res Ctr, Warsaw, Poland
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
MS26-04
引用
收藏
页码:E173 / E173
页数:1
相关论文
共 50 条
  • [41] Optimization of an x-ray diffraction experiment via numerical calculations
    Wang, Y
    Leclair, R
    Boileau, M
    Zhao, P
    MEDICAL PHYSICS, 2005, 32 (07) : 2416 - 2416
  • [42] Comparison of Quantitative X-ray Diffraction Mineral Analysis Methods
    Xiao, Jingyun
    Song, Yougui
    Li, Yue
    MINERALS, 2023, 13 (04)
  • [44] QUANTITATIVE ANALYSIS OF CLAY MINERAL MIXTURES BY X-RAY DIFFRACTION
    THEISEN, AA
    BELLIS, E
    NATURE, 1964, 204 (496) : 1228 - &
  • [45] Degradation of periodic multilayers as seen by small-angle x-ray scattering and x-ray diffraction
    Rafaja, D
    Fuess, H
    Simek, D
    Zdeborová, L
    Valvoda, V
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (43) : 10021 - 10032
  • [46] Refinement of labile hydrogen positions based on DFT calculations of 1H NMR chemical shifts: comparison with X-ray and neutron diffraction methods
    Siskos, Michael G.
    Choudhary, M. Iqbal
    Gerothanassis, Ioannis P.
    ORGANIC & BIOMOLECULAR CHEMISTRY, 2017, 15 (21) : 4655 - 4666
  • [47] Improvement of X-ray diffraction geometries of water physisorbed in zeolites on the basis of periodic Hartree-Fock calculations
    Larin, AV
    Trubnikov, DN
    Vercauteren, DP
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2005, 102 (05) : 971 - 979
  • [48] X-ray crystal structures and DFT calculations of differently charged aminocyclophosphazenes
    Vorontsov, Ivan I.
    Tur, Dzidra R.
    Papkov, Vladimir S.
    Antipin, Mikhail Yu
    JOURNAL OF MOLECULAR STRUCTURE, 2009, 928 (1-3) : 1 - 11
  • [49] Synthesis and Molecular Structure Investigation by DFT and X-Ray Diffraction of ARNO
    Benhalima, Nadia
    Toubal, Khaled
    Chouaih, Abdelkader
    Chita, Giuseppe
    Maggi, Sabino
    Djafri, Ayada
    Hamzaoui, Fodil
    JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, 2011, 41 (11) : 1729 - 1736
  • [50] Synthesis, X-ray Diffraction, Thermogravimetric and DFT Analyses of Pyrimidine Derivatives
    Barakat, Assem
    Al-Najjar, Hany J.
    Al-Majid, Abdullah M.
    Adil, Syed F.
    Ali, Mohamed
    Masand, Vijay H.
    Ghabbour, Hazem A.
    Fun, Hoong-Kun
    MOLECULES, 2014, 19 (11): : 17187 - 17201