Thermochemistry and crystal structures of lithium, sodium and potassium alanates as determined by ab initio simulations

被引：0
|
作者：
Chung, Sai-Cheong [1 ]
Morioka, Hiroyuki [1 ]
机构：
[1] Materials Laboratories, Sony Corporation, 2-1-1 Shinsakuragaoka, Hodogaya, Yokohama 240-0036, Japan
来源：
Journal of Alloys and Compounds | 2004年 / 372卷 / 1-2期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
21
引用
收藏
页码：92 / 96
相关论文
共 50 条
  • [31] Ab initio determination of crystal structures of the thermoelectric material MgAgSb
    Kirkham, Melanie J.
    dos Santos, Antonio M.
    Rawn, Claudia J.
    Lara-Curzio, Edgar
    Sharp, Jeff W.
    Thompson, Alan J.
    PHYSICAL REVIEW B, 2012, 85 (14)
  • [32] Ab initio study on geometrical structures of the TTTA molecular crystal
    Furuya, M
    Kawazoe, Y
    Ohno, K
    SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, 2004, 5 (5-6) : 689 - 692
  • [33] Radicals and ions of glycine. An ab initio of study of the structures and gas-phase thermochemistry
    Yu, D.
    Rauk, A.
    Armstrong, D.A.
    Journal of the American Chemical Society, 1995, 117 (06):
  • [34] Ab initio theoretical study of the reactivity as bases or nucleophiles of potassium and lithium methides
    Ghigo, G
    Tonachini, G
    Fossey, J
    JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 1997, 10 (12) : 885 - 897
  • [35] Ab Initio Theoretical Study of the Reactivity as Bases or Nucleophiles of Potassium and Lithium Methides
    J Phys Org Chem, 12 (885):
  • [36] Characterizations of Sodium Modified Potassium Lithium Niobate Crystal
    Jun, Byeong-Eog
    Hwang, Yoon-Hwae
    Kim, Hyung-Kook
    Choi, Byung Chun
    Moon, Byung Kee
    Jeong, Jung Hyun
    Ko, Jae-Hyeon
    FERROELECTRICS, 2009, 382 : 7 - 15
  • [37] RADICALS AND IONS OF GLYCINE - AN AB-INITIO STUDY OF THE STRUCTURES AND GAS-PHASE THERMOCHEMISTRY
    YU, D
    RAUK, A
    ARMSTRONG, DA
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (06) : 1789 - 1796
  • [38] Initial stages of salt crystal dissolution determined with ab initio molecular dynamics
    Liu, Li-Min
    Laio, Alessandro
    Michaelides, Angelos
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (29) : 13162 - 13166
  • [39] Ab initio simulations of the dynamic ion structure factor of warm dense lithium
    Witte, B. B. L.
    Shihab, M.
    Glenzer, S. H.
    Redmer, R.
    PHYSICAL REVIEW B, 2017, 95 (14)
  • [40] CRYSTAL STRUCTURES OF LITHIUM SODIUM AND STRONTIUM AZIDES
    PRINGLE, GE
    NOAKES, DE
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1968, B 24 : 262 - &
12345