Ab initio study on the influence of spin state upon bonding and interaction in Fe-CO

被引:0
|
作者
机构
来源
Chem Res Chin Univ | / 2卷 / 163-168期
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [21] Study of Fe-Co Nanocomposite Films
    Lancok, A.
    Kohout, J.
    Miglierini, M.
    Fendrych, F.
    Klementova, M.
    Lancok, J.
    MOSSBAUER SPECTROSCOPY IN MATERIALS SCIENCE - 2010, 2010, 1258 : 82 - +
  • [22] SPIN AND ORBITAL MAGNETISM IN FE-CO AND CO-NI ALLOYS
    SODERLIND, P
    ERIKSSON, O
    JOHANSSON, B
    ALBERS, RC
    BORING, AM
    PHYSICAL REVIEW B, 1992, 45 (22): : 12911 - 12916
  • [23] Ab initio study of magnetic interaction of Fe doped ZnO with intrinsic vacancies
    Debernardi, A.
    Fanciulli, M.
    APPLIED PHYSICS LETTERS, 2007, 90 (21)
  • [24] An ab initio study on the bonding in H2CO3 and related species
    Kalemos, Apostolos
    MOLECULAR PHYSICS, 2021, 119 (14)
  • [25] Strain-driven spin-state transition and superexchange interaction in LaCoO3: Ab initio study
    Seo, Hosung
    Posadas, Agham
    Demkov, Alexander A.
    PHYSICAL REVIEW B, 2012, 86 (01):
  • [26] The influence of halogen-bonding cooperativity on the hydrogen and lithium bonds: an ab initio study
    Esrafili M.D.
    Mousavian P.
    Mohammadian-Sabet F.
    Molecular Physics, 2019, 117 (14): : 1903 - 1911
  • [27] Magnetic state effect upon the order-disorder phase transition in Fe-Co alloys: A first-principles study
    Rahaman, Moshiour
    Ruban, A. V.
    Mookerjee, Abhijit
    Johansson, B.
    PHYSICAL REVIEW B, 2011, 83 (05):
  • [28] Ab initio calculation of magnetism in Fe, Co and Ni
    Pavao, Antonio C.
    Santos, Jose R. S.
    Taft, Carlton A.
    MOLECULAR SIMULATION, 2009, 35 (04) : 287 - 291
  • [29] Threshold photoionization study of Fe(CO)(5) versus ab initio calculations
    Angeli, C
    Berthier, G
    Rolando, C
    Sablier, M
    Alcaraz, C
    Dutuit, O
    JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (42): : 7907 - 7913
  • [30] Ab initio study of hydrogen bonding cooperativity in arylamide
    Geer, Jessica Amber
    Galan, Jhenny
    Liu, Zhiwei
    Pophristic, Vojislava
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 240