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MP2的相关文献在1996年到2021年内共计91篇,主要集中在化学、无线电电子学、电信技术、自动化技术、计算机技术 等领域,其中期刊论文91篇、专利文献422606篇;相关期刊67种,包括滨州学院学报、贵州科学、内蒙古电力技术等; MP2的相关文献由190位作者贡献,包括王一波、徐文媛、吴文胜等。

MP2—发文量

期刊论文>

论文:91 占比:0.02%

专利文献>

论文:422606 占比:99.98%

总计:422697篇

MP2—发文趋势图

MP2

-研究学者

  • 王一波
  • 徐文媛
  • 吴文胜
  • 唐慧安
  • 张士国
  • 李志锋
  • 舒华
  • 冀永强
  • 冯泳兰
  • 刘凤丽
  • 期刊论文
  • 专利文献

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    • 文涛; 谭蓓; 江晓筠
    • 摘要: 随着5G的日益普及,越来越多的行业客户开始关注基于5G的MEC,运营商也一直希望通过MEC为行业客户带来差异化的网络能力和服务.在分析边缘云网络及平台架构的基础上,结合5G网络能力以及行业客户的重点业务需求,提出了基于MP2等接口的网络能力开放及网业协同方案,为运营商5G边缘云网业协同部署提供了借鉴和参考.
    • 亓建芸; 赵可云
    • 摘要: 新加坡教育信息化规划是新加坡政府为提升自身竞争力而进行的总体设计, 从1997年至今已经成功实施了MP1 (1997-2002年) 、MP2 (2003-2008年) 、MP3 (2009-2014年) 三次规划.文章通过解读三期规划的实施目标、策略、取得的成就, 分析其实施特点, 希望能为我国教育信息化提供可资借鉴的经验.
    • 颜锐朋1; 朱冉靖1; 苏奕帆1; 李俊玲1; 陈益山1
    • 摘要: 通过量子化学计算方法MP2对H3XF (X = Ge, Si)和五种芳香环化合物(苯、吡啶、吡咯、呋喃、噻吩)形成的硅键复合物进行了研究。复合物的结合模式可分为两类,模式I复合物中X主要与芳香环碳原子发生硅键相互作用,模式II则主要与芳香环杂原子发生硅键相互作用。H3XF与所有芳香环化合物都能形成模式I复合物,稳定性顺序为:吡咯 >噻吩 >苯 >呋喃 >吡啶。H3XF则只能与三种芳香环化合物形成模式II复合物,稳定性顺序为:吡啶 >噻吩 >呋喃。分析表明模式I复合物均为π型硅键,而模式II复合物则各不同:吡啶模式II复合物为n型硅键,呋喃模式II复合物为n/π型硅键,噻吩模式II复合物为π型硅键。
    • Shruti Sharma; Mrinal J Bezbaruah; Ibrahim Ali; Mahasweta Choudhury; Bipul Bezbaruah
    • 摘要: Non covalent interactions are quite common in all kinds of π-systems, such as π-π interactions, long range/short range van der waal force of interactions, ion-π interactions etc. Ab initio calculations are well established and account well for the experimental long range interaction energies for small clusters of aromatic molecules and most of the calculations were carried out using the MPn methods. If a reasonably large basis set is used to calculate the stacking interaction energies for a cluster (dimer, trimer etc.) of aromatic molecules then the electron-electron correlation energy may be properly calculated. Moreover, ab initio calculations for aromatic π-systems show that the calculated stacking interaction energies highly depend on the basis set used and the electron correlation energy. In this investigation, the electron correlation of the stacked hydrated phenol systems has been accounted at MP2 level of calculations. We have calculated the π-π stacking interaction energies of the hydrated phenolic systems with different conformations.
    • 傅晓; 李绛
    • 摘要: This paper aims at studing the cooperativity between hydrogen bond and halogen bond in XH…HOCl…Y(X=F,Cl,Br, OH;Y=F,Cl,Br,OH,NH2 )complexes by using the MP2 method and 6-311++G(d,p)basis set. During the study,the bond lengths,intermolecular interaction energies and vibration frequencies were calculated in XH…HOCl,HOCl…YH and XH…HOCl…YH complexes. The result shows that when compared with XH…HOCl,HOCl…YH systems,the XH…HOCl…YH complexs has shorter bond lengths but greater intermolecular interaction energies and higher vibration frequencys. Through AIM analysis and a comparison of the change of the electron density at the bond critical points between the two complexes,the results show that the electron density have obvious increase in the XH…HOCl…YH complexes. Besides,the results also show that all the bonds belong to the weak interactions and they have stronger electrostatic interaction compared with XH…HOC1 and HOCl…YH complexes. All these above analysis indicate that cooperativity exists between hydrogen bond and halogen bond inXH…HOCl…YH complexes.%采用MP2方法在6-311++G(d,p)基组水平上对三分子体系XH…HOCl…YH(X=F,Cl,Br,OH;Y=F, Cl,Br,OH,NH2)中氢键和卤键之间的协同效应进行了研究。研究过程中计算了二体XH…HOCl中氢键,二体HOCl…YH中卤键和三体XH…HOCl…YH中氢键和卤键的键长、分子间的相互作用能以及它们的振动频率。发现和二体相比,三体中氢键和卤键的键长缩短,分子间的相互作用能增大,振动频率增大。再通过AIM分析,比较了二体、三体中氢键和卤键键鞍点处电子密度强弱的变化,结果电子密度在三体中明显增大,分析结果还显示氢键和卤键属于分子间弱相互作用的范畴,它们的静电作用和二体相比也有所增强。这些现象都表明三体中氢键和卤键之间存在正的协同效应。
    • 周更杰
    • 摘要: 目前,广播电台传统的节目制作流程相对繁琐,消耗了编辑制作人员大量的时间和精力.针对这一现状,本文详细阐述了如何科学合理借鉴运用Audition编辑软件,从而实现广播节目制作流程中的高效高质批量化,最终达到节目编辑制作流程的事半功倍效果.
    • 徐文媛; 万欢欢; 徐永昌; 徐娜娜; 洪三国
    • 摘要: 在Lanl2dz和6-311++G(3df,2pd)不同的基组水平上,采用量子化学方法分别对Zn2+和AlCl2+改性后的NaAlCl4催化制备(CH3)2SiCl2的反应机理进行了研究.计算结果表明:Zn2+改性NaAlCl4后速控步骤为催化剂吸附(CH3)3SiCl的过程;而AlCl2+改性NaAlCl4后机理中速控步骤为CH3SiCl3与催化剂一并吸附(CH3)3 SiCl所形成的中间体(CH3AlCl2/X-ZSM-5)的过程.综合分析得知:两通道的速控步骤活化能相差79.11 kJ·mol-1,AlCl2+有利于反应进行,而Zn2+对反应有负面影响.这与前线轨道分析结果一致.
    • 杨佳红; 靳玲侠; 张继林; 李琛
    • 摘要: The two transition states have been investigated using the MP2 theory between cis-HOOOH and trans-HOOOH. The results shows that:(1) trans-isomers is more stable than cis-isomers;(2) there are two pathways of the conversion between the trans-HOOOH and cis-HOOOH.%采用MP2/6-31G(D,P)方法对HOOOH的反式和顺式转化机理进行了详细计算研究。计算结果表明:(1) HOOOH的反式比顺式结构稳定;(2)两种稳定构型的异构化反应机理存在两种路径。
    • 宋慧; 李斌; 赵光明; 武红娟; 龙泽清
    • 摘要: 本文采用DFT-B3LYP和MP2(full)方法对三聚体Cl–…苯氰…H2O中O/C–H…Cl–阴离子氢键与传统氢键O–H…N和C–H…O之间的协同效应、热力学性质以及芳香性进行了研究.结果表明阴离子氢键O/C–H…Cl–对O–H…N或 C–H…O相互作用的影响更显著.在线性结构中发生正协同效应,熵变是促进热力学协同效应的主要因素,而在环状结构中发生反协同效应,焓变成为主要因素.在三聚体形成过程中,苯氰环的芳香性是减弱的,而苯氰中π→π∗共轭效应是增强的.结果表明,协同效应能Ecoop.分别与 Rc ( NICS (1) ternary/NICS (1) binary ),ΔΔδ(Δδternary -Δδbinary ), Rc′(( NICS (1) ternary - NICS (1)binary)/NICS (1)binary)和RBDE(C–CN)(BDE(C–CN)ternary/BDE(C–CN)binary)均具有良好的线性关系.同时, AIM的分析也佐证了协同效应的存在.%The cooperativity effects between the O/C–H…Cl–anionic H-bonding and O–H…N and C–H…O H-bonding interactions, thermodynamic properties and aromaticities in Cl–…benzonitrile…H2 O comple-xes are investigated using the B3LYP and MP2(full) methods. The result shows that the influence of the O/C–H…Cl–anionic H-bonding interaction on the C–H…O is more pronounced than that on the O–H…N in-teraction. The cooperativity effect appears in the linear conformation while the anti-cooperativity effect is found in the cyclic structure. The enthalpy change is the major factor driving the cooperativity in forming the linear ter-nary complex while entropy change turns into the favorable factor in forming the cyclic system. The aromaticity of the benzonitrile ring is weakened and theπ→π∗conjugative effect between the ring and C≡N bond is strength-ened upon the ternary-complex formation. To our interest, the cooperativity effect correlates well with Rc(NICS (1)ternary/NICS (1)binary),ΔΔδ (Δδternary– Δδbinary), Rc′((NICS (1)ternary– NICS (1)binary)/NICS (1)binary) and RBDE(C–CN)(BDE(C–CN)ternary/BDE(C–CN)binary), respectively. AIM (atoms in molecules) analysis confirms the existence of cooperativity.
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