Ab initio molecular dynamics study of solid nitromethane

被引：0
|
作者：
Tuckerman, M. E.
Klein, M. L.
机构：
来源：
Chemical Physics Letters | / 283卷 / 03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
  • [1] Ab initio molecular dynamics study of solid nitromethane
    Tuckerman, ME
    Klein, ML
    CHEMICAL PHYSICS LETTERS, 1998, 283 (3-4) : 147 - 151
  • [2] Thermal Decomposition of the Solid Phase of Nitromethane: Ab Initio Molecular Dynamics Simulations
    Chang, Jing
    Lian, Peng
    Wei, Dong-Qing
    Chen, Xiang-Rong
    Zhang, Qing-Ming
    Gong, Zi-Zheng
    PHYSICAL REVIEW LETTERS, 2010, 105 (18)
  • [3] Ab initio molecular dynamics simulations of molecular collisions of nitromethane
    Wei, DQ
    Zhang, F
    Woo, TK
    SHOCK COMPRESSION OF CONDENSED MATTER-2001, PTS 1 AND 2, PROCEEDINGS, 2002, 620 : 407 - 410
  • [4] Thermal Decomposition of the Solid Phase of Nitromethane: Ab Initio Molecular Dynamics Simulations (vol 105, 188302, 2010)
    Chang, Jing
    Lian, Peng
    Wei, Dong-Qing
    Chen, Xiang-Rong
    Zhang, Qing-Ming
    Gong, Zi-Zheng
    PHYSICAL REVIEW LETTERS, 2010, 105 (22)
  • [5] Vibrational energy redistribution in crystalline nitromethane simulated by ab initio molecular dynamics
    Lu, Meilin
    Zheng, Zhaoyang
    Zhu, Gangbei
    Wang, Yuxiao
    Yang, Yanqiang
    RSC ADVANCES, 2021, 11 (16) : 9557 - 9567
  • [6] Ab initio molecular dynamics simulations of nitromethane under shock initiation conditions
    Decker, SA
    Chau, D
    Woo, TK
    Zhang, F
    SHOCK WAVES, VOLS 1 AND 2, PROCEEDINGS, 2005, : 1193 - 1198
  • [7] An ab initio study of intermolecular interactions of nitromethane dimer and nitromethane trimer
    Li, JS
    Zhao, F
    Jing, FQ
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2003, 24 (03) : 345 - 352
  • [8] Controlling the shape and flexibility of arylamides: A combined ab initio, ab initio molecular dynamics, and classical molecular dynamics study
    Pophristic, V
    Vemparala, S
    Ivanov, I
    Liu, ZW
    Klein, ML
    DeGrado, WF
    JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (08): : 3517 - 3526
  • [9] Enhanced Thermal Decomposition of Nitromethane on Functionalized Graphene Sheets: Ab Initio Molecular Dynamics Simulations
    Liu, Li-Min
    Car, Roberto
    Selloni, Annabella
    Dabbs, Daniel M.
    Aksay, Ilhan A.
    Yetter, Richard A.
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2012, 134 (46) : 19011 - 19016
  • [10] Ab initio molecular dynamics study on the hydrolysis of molecular chlorine
    Liu, ZF
    Siu, CK
    Tse, JS
    CHEMICAL PHYSICS LETTERS, 1999, 311 (1-2) : 93 - 101
12345