Analysis of hydrogen trap states by carbonate in steel with ab initio calculation

被引:0
|
作者
机构
[1] Kawakami, Kazuto
来源
Kawakami, K. | 2013年 / Nippon Steel Corp.卷
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
  • [1] Ab initio calculation of the hydrogen molecule in silicon
    Nakamura, KG
    Ishioka, K
    Kitajima, M
    Murakami, K
    SOLID STATE COMMUNICATIONS, 1997, 101 (10) : 735 - 738
  • [2] Ab initio calculation of the excited states of nitropyrenes
    Qian Chen
    Farhan Siddique
    Gustavo T. M. Silva
    Hans Lischka
    Frank H. Quina
    Adelia J. A. Aquino
    Theoretical Chemistry Accounts, 2021, 140
  • [3] Ab initio calculation of the excited states of nitropyrenes
    Chen, Qian
    Siddique, Farhan
    Silva, Gustavo T. M.
    Lischka, Hans
    Quina, Frank H.
    Aquino, Adelia J. A.
    THEORETICAL CHEMISTRY ACCOUNTS, 2021, 140 (07)
  • [4] Ab initio molecular orbital calculation for hydrogen-induced states of titanium (III)
    Hayashi, K
    Nakagawa, ST
    Mizuno, Y
    Tanaka, A
    Homma, T
    SURFACE AND INTERFACE ANALYSIS, 2003, 35 (01) : 104 - 107
  • [5] Treating hydrogen bonding in ab initio calculation of biopolymers
    Mei, Y
    Wu, EL
    Han, KL
    Zhang, JZH
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2006, 106 (05) : 1267 - 1276
  • [6] Chemical bonding and electronic states in α-PbO:: Analysis by an ab initio band calculation
    Noguchi, Y
    Takahashi, M
    Miyayama, M
    JOURNAL OF THE CERAMIC SOCIETY OF JAPAN, 2004, 112 (1301) : 50 - 56
  • [7] An ab initio calculation of the vertical electronic states of cyclopropene
    Diamond, J
    Matsuda, A
    Dykstra, J
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1998, 215 : U251 - U251
  • [8] Ab Initio Calculation of the Ground and Excited States of BrO–
    B. F. Minaev
    E. M. Khomenko
    E. A. Bilan
    Journal of Structural Chemistry, 2001, 42 : 490 - 493
  • [9] Ab initio calculation of the miscibility diagram for mixtures of hydrogen and water
    Bergermann, Armin
    French, Martin
    Redmer, Ronald
    PHYSICAL REVIEW B, 2024, 109 (17)
  • [10] Ab initio calculation of molecular hydrogen electronic states' properties:: transition matrix elements among triplet electronic states
    Spielfiedel, A
    Palmieri, P
    Mitrushenkov, AO
    MOLECULAR PHYSICS, 2004, 102 (21-22) : 2249 - 2258