Computational investigation of F atom reaction with silane (SiH4)

来源 :International Conference on Theoretical and High Performance | 被引量 : 0次 | 上传用户:wenxiaoyao1214
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
  The reaction mechanism of the fluorine atom reaction with silane molecule (SiH4) is investigated in this work.Two reaction channels which form SiH3+HF and SiH3F+H are discussed.The geometries and frequencies of all the stationary points along the reaction channels were obtained by MP2/6-311G** method and the energies of all the stationary points were improved by single-point energy calculations using QCISD(T) method.
其他文献
姓名:王景新出生:1996年籍贯:黑龙江省性格:开朗、健谈喜欢的音乐:永远的兄弟喜欢的运动:篮球、羽毛球、乒乓球爱好:蓝球、各种棋、上网特长:象棋敬佩的人:科比人生感言:学习
衡量一个人的价值大小,不仅仅是他所拥有的财富多少,而是他心底最为宝贵的善良和道义。衡量一个企业的价值大小,不仅仅是企业所创造的经济效益大小,而是一个企业所担负的社会
  Synopsis A time-dependent convergent close-coupling approach to the calculation of (p)-H2 collisions has been developed and applied to study single ionisati
会议
  Synopsis A close analysis of double ionization data for particle (electron and proton) and antiparticle (positron and antiproton) impact on He, Ne, and Ar s
会议
  Synopsis We discusses the current status of the Double ElectroStatic Ion Ring ExpEriment (DESIREE) facility: an electrostatic ion-storage device consisting
会议
生命充满疑惑,人们试图用不同方式去寻求答案,费尔南多的镜头下是答案,也是新的疑惑和提问。初看费尔南多的作品 Life is full of doubts, people trying to find answers i
  Geometries and dissociation energies of water molecules on Ga doped Al clusters were investigated using the first-principles density functional PW91 method.
会议
对我国1.5万个家庭的相关调查显示,在40岁以上的家庭主妇中,86%的人不同程度的患有关节病或妇科病,致病的“罪魁祸手”之一是冷水。从中医角度看,怕冷是因为人体阳气衰微,气
伍光建《物理学》成书形式的确定是伍光建的人物研究、晚清物理教科书和晚清物理学交流史研究的基础性工作.将伍光建《物理学》与当时西方主流物理学教科书进行对照,探讨其与
  Synopsis We have investigated the electron double double differential cross sections in ionization of water molecules by fast (i.e.of energy a few MeV/u) ba
会议