兼具债转股和债务减记特征的或有可转债及其定价

兼顾债转股和债务减记特征，设计了一款双触发器或有可转债（DEWDCC）。当金融系统风险累积到较高水平时，DEWDCC赋予投资者将其转化为普通股权或减记债的权力，以避免因强制债转股对投资者带来过多的损失。其所采用的巴黎式外生阈值有望适度避免人为操纵债转股，且有利于向银行和投资者提供风险预警，而债务减记有助于及时有效地救助陷入困境中的银行。通过蒙特卡罗模拟分析，得到：DEWDCC的债转股属性和债务减记特征对资产转移的影响相互抵消，而不恰当的或有债券的发行不利于金融市场的稳定性；DEWDCC的债转股特征可以有效地增加银行的逆周期缓冲资本，进而增强其应对外部冲击的弹性；而债务减记特征可望有效吸收银行损失并维持银行的正常运营。总之，转股选择权使得DEWDCC比普通CoCos更具吸引力。     

超分子C14H14N4O8的合成及结构表征

以反丁烯二酸和咪唑为原料,采用缓慢蒸发溶剂法合成了新的有机加合物C14H14N4O8,并获得了其单晶体.通过红外、热化学分析、X-射线单晶衍射等技术对该加合物进行了结构测定和性质表征.晶体中分子通过分子间氢键相互连接构成超分子网络结构.该加合物属于三斜晶系,P-1空间群,a=0.746 77(15), b=7.736 3(15),c=8.405 5(17),α=69.73(3)°,β=80.40(3)°,γ=66.19(3)°,Z=1,V=416.75(14)A3,D=1.468 (mg/m3),F(000)=190.     

PL Emission and Shape of Silicon Quantum Dots

The calculation results show that the bonding energy and electronic states of silicon quantum dots are different on various curved surfaces, for example, a Si-O-Si bridge bond on curved surface provides the localized levels in band gap and its bonding energy is shallower than that on facet. The red-shifting of PL spectra on smaller silicon quantum dots can be explained by curved surface effect. Experiments demonstrate that silicon quantum dots are activated for emission due to the localized levels provided in curved surface effect.     

Binding energies and interaction origins between nonclassical single-electron hydrogen,sodium and lithium bonds and neutral boron-containing radicals: a theoretical investigation

Nonclassical single electron hydrogen,sodium and lithium bonds(SEHBs,SENaBs and SELiBs)between single electron acceptors X–A(A=H,Na,Li;X=CN,HCC,HO,NC,CF3)and neutral radicals BY2(Y=H,OH,CH3)and have been systematically investigated by high level theoretical methods,such as second-order Mφller-Plesset perturbation theory(MP2),spin-component-scaled MφllerPlesset theory(SCS-MP2),the coupled cluster method with perturbative triples(CCSD(T)),and the correlation consistent composite approach(ccCA).Binding energies have been corrected for zero-point vibrational effects and(when applicable)basis set superposition error.The quantum theory of atoms in molecules(AIM)and natural bond orbital(NBO)analyses were also employed to qualitatively characterize the single electron bond interactions.The stabilization energy was partitioned via the localized molecular orbital energy decomposition analysis(LMOEDA)method,and both electrostatic and exchange interactions were seen to be major driving forces for the complex stabilization.Interestingly,the sum of the energy contributors of exchange(EEX),repulsion(EREP),polarization(EPOL),dispersion(EDIS)is close to zero and the changes in the interaction energy follow the trend of the electrostatic energy(EES).We observe several linear relationships among the optimized intermolecular parameters and the interaction energies of the various complexes.     

The source of chemical bonding

Developments in the application of quantum mechanics to the understanding of the chemical bond are traced with a view to examining the evolving conception of the covalent bond. Beginning with the first quantum mechanical resolution of the apparent paradox in Lewis’s conception of a shared electron pair bond by Heitler and London, the ensuing account takes up the challenge molecular orbital theory seemed to pose to the classical conception of the bond. We will see that the threat of delocalisation can be overstated, although it is questionable whether this should be seen as reinstating the issue of the existence of the chemical bond. More salient are some recent developments in a longstanding discussion of how to understand the causal aspects of the bonding interaction—the nature of the force involved in the covalent link—which are taken up in the latter part of the paper.     

论公司债券的溢价与折价

发行债券会出现溢价或折价，溢价或折价取决于市场利率与票面利率的不等．溢价或折价的大小可根据公式：△＝Ｃ（ｒ－Ｒ）（１＋Ｒ）ｎ－１Ｒ（１＋Ｒ）ｎ溢价Ｃ（Ｒ－ｒ）（１＋Ｒ）ｎ－１Ｒ（１＋Ｒ）ｎ折价得出，且溢价不是给企业带来的收益，折价也不是给企业带来的损失     

TiN 膜吸附机理及工艺的研究

探讨了ＴｉＮ膜的吸附机理、吸附条件以及空余键力在真空镀膜中的应用。介绍了ＴｉＮ膜的特性，制备及应用前景，包括在加硬膜、耐蚀膜、装饰膜、阻挡膜及光学膜等方面的应用。     

电场作用下金属串配合物[Ru_3(dpa)_4]L_2(L=Cl,C≡N,C≡CPh)结构的理论研究

用密度泛函理论BP86结合自然键轨道分析方法,研究了具有分子导线潜在应用的含二吡啶胺配体(dpa)的金属串配合物[Ru3(dpa)4]L2(1:L=Cl,2:C≡N,3:C≡CPh)的Ru—Ru,Ru—L键及其在电场作用下的结构变化规律,结果表明:(1)配合物基态均存在Ru6+3离域三重键,1中具有1个σ43和2个!43离域键,2中具有σ23,!53和δ53离域键,3中具有1个σ23和2个!53离域键.1的轴向配体形成Ru—Cl弱配位σ键,2和3中Ru与C≡N和C≡CPh(下文简写为CN和CCPh)除形成Ru—C配位σ键外,还具有Ru(dyz,dxz)→L(!*C-N或!*C-C)反馈!键,减弱了Ru—Ru离域!键.且2的CN中N的电负性较大,其反馈!键更强使Ru—Ru键最弱,故Ru—Ru距离为231.(2)电场作用下,低电势端的Ru—Ru和Ru—L键缩短,而高电势端的Ru—Ru和Ru—L键增长;轴向配体的负电荷向高电势端转移,而Ru的正电荷则向低电势端移动;高电势端Ru的自旋密度减小,而低电势端Ru和L的自旋密度增大.因3中CCPh共轭性强,故电荷密度和自旋密度对电场更敏感,有利于电子在分子轴的传输.1~3的前线分子轨道分布、能级和能隙在电场作用下均较稳定.在电场中前线轨道仍能保持金属轴的离域,有利于电子传输.(3)含更大的共轭轴向配体CCPh的3的HOMO-LUMO能隙小于具有相同自旋态的2,故3的导电性可能最好.     

分数布朗运动下信用风险结构模型

假设企业资产价值的波动以真实概率服从分效布朗运动,在此基础上推算出时度量信用风险的:公司的违约概率公式,风险债券的价格公式,股票的价格公式以及风险溢价公式等,并且得到在这样的假设条件下画出的信用风险溢价随着资产价值波动项变化而呈现的不同走势接近实证结论.     

基于Cameron-Martin-Girsanov理论的长寿债券定价模型

针对现有长寿债券定价研究中存在的不足,利用Cameron-Martin-Girsanov理论构建长寿债券定价模型,避免了Wang变换方法的主要缺欠,进一步减小了市场不完全性对定价准确性的影响.同时,为满足不同风险偏好投资者的需求,利用分层技术对长寿债券进行分层定价,克服了现有定价模型风险承担模式单一的问题.所构建的长寿债券定价模型较已有模型更加符合金融市场的客观实际和投资者的多样化需求,在一定程度上有助于推进我国长寿风险管理效率的提高.