Molecular and electronic structure of s-tetrazine in the ground and first excited state: A theoretical investigation

被引:0
|
作者
Schutz, Martin
Hutter, Jurg
Luthi, Hans Peter
机构
来源
Journal of Chemical Physics | 1995年 / 103卷 / 16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
  • [41] A theoretical investigation of electronic ground state of parent sulfur diimide
    Shahbazian, S
    Zahedi, M
    Ng, SW
    JOURNAL OF MOLECULAR SPECTROSCOPY, 2004, 223 (02) : 195 - 204
  • [42] Theoretical studies on the heats of formation, densities, and detonation properties of substituted s-tetrazine compounds
    Yang Zhou
    XinPing Long
    YuanJie Shu
    Journal of Molecular Modeling, 2010, 16 : 1021 - 1027
  • [43] Quantum-chemical Investigation of Substituted s-Tetrazine Derivatives as Energetic Materials
    Ghule, Vikas D.
    Sarangapani, Radhakrishnan
    Jadhav, Pandurang. M.
    Tewari, Surya. P.
    BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 2012, 33 (02): : 564 - 570
  • [44] AB-INITIO SCF CI STUDY OF ELECTRONIC-SPECTRUM OF S-TETRAZINE
    HA, TK
    MOLECULAR PHYSICS, 1975, 29 (06) : 1829 - 1846
  • [45] s-tetrazine in aqueous solution: A density functional study of hydrogen bonding and electronic excitations
    Odelius, M
    Kirchner, B
    Hutter, J
    JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (11): : 2044 - 2052
  • [46] Theoretical investigation of electronic structures of the ground and excited states of pyrene and its derivatives
    Park, Yong Hwan
    Cheong, Byeong-Seo
    CURRENT APPLIED PHYSICS, 2006, 6 (04) : 700 - 705
  • [47] Structure and ground and first electronic excited state vibrational modes of the ethyl-p-aminobenzoate conformers
    Longarte, A
    Fernández, JA
    Unamuno, I
    Castaño, F
    CHEMICAL PHYSICS, 2000, 260 (1-2) : 83 - 93
  • [49] Ground and excited state intramolecular proton transfer in salicylic acid: an ab initio electronic structure investigation
    Maheshwari, S
    Chowdhury, A
    Sathyamurthy, N
    Mishra, H
    Tripathi, HB
    Panda, M
    Chandrasekhar, J
    JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (31): : 6257 - 6262
  • [50] Ground and excited electronic state thermodynamics of aqueous carbon monoxide: A theoretical study
    D'Alessandro, M
    Marinelli, F
    D'Abramo, M
    Aschi, M
    Di Nola, A
    Amadei, A
    JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (12):