The DFT Study of Five Member Rings' Dissociation Effect in Methane Hydrate Single Cage Clusters

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户:wodekechengsheji
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
  There are enormous hydrogen bonding networks existed in Methane hydrate,MH.Considering that single water molecule has two patterns of hydrogen bond formation,that is donating type(d)and accepting type(a),there would be numerous isomer configurations of cages.
其他文献
  Organic molecules with persistent room temperature phosphorescence(RTP)have attracted growing attention due to the long lifetime and inefficiency light emis
会议
  Photoluminescent materials are important due to their potential various applications in bioimaging,sensing,optoelectronic and so on,and attract more and mor
会议
  Separating actinides An(Ⅲ)and lanthanides Ln(Ⅲ)in spent nuclear fuel reprocessing is extremely challenging,because of their similar chemical properties.Te
会议
  Due to the simple preparation process,wide material surface,low cost,good flexibility and substrate compatibility,the organic field effect transistors(OFETs
会议
  We investigated four PDI derivatives including two monomers(PDI_M1 and PDI_M2)and two dimers(PDI_D1 and PDI_D2)to study how alkyl chains substituted on the
会议
  As an efficient spectral measurement tool in the far-infrared region,terahertz time-domain spectroscopy(THz-TDS)has recently been in progress with advantage
会议
  高分子材料的合成面临原料缺乏和不可生物降解的困境,寻找环境友好的可生物降解新型高分子材料已成为材料领域的一个研究热点[1],Xi 等人[2]在有机镁/铝化合物催化ε-己
  过渡金属催化 Suzuki–Miyaura 交叉偶联反应生成C–C 键应用广泛,2016 年,Chirik 等第一次报道了iPrPNP 配体钴催化剂催化三氟甲磺酸苯酯与杂芳基硼间的Suzuki-Miyaura
  N2 分子在自然界中含量丰富,但N≡ N 具有很强的化学惰性,如何利用过渡金属化合物活化N2 并将其转化为NH3 一直是化学科学研究领域最具挑战性的课题之一[1].Cristina Santa
  层状双金属氢氧化物(layered double hydroxides LDHs)具有主客体结构,因其丰富的可调变性能,已在催化、吸附等诸多领域引起广泛关注.LDHs 层间结构的稳定性对材料的构筑起