Quantum chemical molecular dynamics study on the bond dissociation of excited water molecules

被引：0
|
作者：
Endou, Akira
Nomura, Ayumi
Sasaki, Yumiko
Chiba, Keiko
Hata, Hokuto
Tsuboi, Hideyuki
Koyama, Michihisa
Hatakeyama, Nozomu
Takaba, Hiromitsu
Kubo, Momoji [2 ]
Del Carpio, Carlos A.
Kitada, Masayoshi
Muroga, Shigeki
Miyamoto, Akira [1 ]
机构：
[1] Tohoku Univ, Dept Appl Chem, Grad Sch Engn, New Ind Creat Hatchery Ctr,Aoba Ku, Sendai, Miyagi 980, Japan
[2] PRESTO JST, Aoba Ku, Sendai, Miyagi, Japan
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2007年 / 233卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
287-COMP
引用
收藏
页码：204 / 204
页数：1
相关论文
共 50 条
  • [1] Quantum chemical study of the Cspiro-O bond dissociation in spiropyran molecules
    S. M. Aldoshin
    K. V. Bozhenko
    A. N. Utenyshev
    Russian Chemical Bulletin, 2013, 62 : 1740 - 1743
  • [2] Quantum chemical study of the Cspiro-O bond dissociation in spiropyran molecules
    Aldoshin, S. M.
    Bozhenko, K. V.
    Utenyshev, A. N.
    RUSSIAN CHEMICAL BULLETIN, 2013, 62 (08) : 1740 - 1743
  • [3] Femtosecond dissociation dynamics of core-excited molecular water
    de Brito, AN
    Feifel, R
    Mocellin, A
    Machado, AB
    Sundin, S
    Hjelte, I
    Sorensen, SL
    Björneholm, O
    CHEMICAL PHYSICS LETTERS, 1999, 309 (5-6) : 377 - 385
  • [4] A quantum chemical and molecular dynamics study of the coordination of Cm(III) in water
    Hagberg, Daniel
    Bednarz, Eugeniusz
    Edelstein, Norman M.
    Gagliardi, Laura
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2007, 129 (46) : 14136 - +
  • [5] A Theoretical Study on Chemical Reaction of Water Molecules under Laser Irradiation: Ultra-Accelerated Quantum Chemical Molecular Dynamics Approach
    Endou, A.
    Nomura, A.
    Sasaki, Y.
    Chiba, K.
    Hata, H.
    Okushi, K.
    Suzuki, A.
    Koyama, M.
    Tsuboi, H.
    Hatakeyama, N.
    Takaba, H.
    Kubo, M.
    Del Carpio, C. A.
    Kitada, M.
    Kabashima, H.
    Miyamoto, A.
    NSTI NANOTECH 2008, VOL 3, TECHNICAL PROCEEDINGS: MICROSYSTEMS, PHOTONICS, SENSORS, FLUIDICS, MODELING, AND SIMULATION, 2008, : 713 - +
  • [6] Formation of fullerene molecules from carbon nanotubes: A quantum chemical molecular dynamics study
    Irle, S
    Zheng, GS
    Elstner, M
    Morokuma, K
    NANO LETTERS, 2003, 3 (04) : 465 - 470
  • [7] Electron capture dissociation of the disulfide bond - a quantum chemical model study
    Uggerud, E
    INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2004, 234 (1-3) : 45 - 50
  • [8] Hydrogen bond lifetime for water in classic and quantum molecular dynamics
    Antipova, M. L.
    Petrenko, V. E.
    RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2013, 87 (07) : 1170 - 1174
  • [9] Hydrogen bond lifetime for water in classic and quantum molecular dynamics
    M. L. Antipova
    V. E. Petrenko
    Russian Journal of Physical Chemistry A, 2013, 87 : 1170 - 1174
  • [10] First principles and tight-binding quantum chemical molecular dynamics approach to vibrationally excited states dynamics of water
    Broclawik, E
    Chiba, K
    Sasaki, Y
    Shaikh, AR
    Pei, Q
    Tsuboi, H
    Koyama, M
    Kubo, M
    Akutsu, K
    Hirota, M
    Kitada, M
    Hirata, H
    Miyamoto, A
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 229 : U800 - U801
12345