Exchange interactions in some low-dimensional metal dithiolene complexes

Low-dimensional systems are formed by planar metal dithiolene complexes which stack as columnar structures in the solid state. Stronger interactions among units within a chain leads to highly anisotropic magnetic properties. The magnetic effects are a manifestation of exchange interaction,J and can be studied through detailedepr techniques in conjunction with magnetic susceptibility and x-ray crystal structure. A brief review of such studies carried out mostly in our laboratory is presented along with the relevant background materials.     

BaF（Cl,Br）：Sm^2＋的光谱烧孔与光激励发光过程

Ｘ射线辐照前后，在ＢａＦ（Ｃｌ，Ｂｒ）：Ｓｍ＾２＋中以５６０ｎｍ的Ｎｄ：ＹＡＧ脉冲光在液氮温度下进行了双光子烧孔实验和光激励发光实验，结果表明，Ｓｍ＾２＋掺杂的碱土金属氟卤化物光谱烧孔过程中伴随着光激励发光过程，这一过程直接影响光谱烧孔过程的进行。     

Influence of extractions on physicochemical characterization and bioactivity of Piper nigrum oils: Study on the non-isothermal decomposition kinetic

Black pepper oils have been investigated frequently in the recent years. However, there is a significant variation in physicochemical properties and bioactivity of oils depended on extraction techniques. In this study, the systemic investigation of four various extraction methods was performed to evaluate the physicochemical characterizations, antioxidant and antibacterial activity. The investigation of ¹H NMR, FTIR and UV–Vis spectra confirmed presence of non-volatile components in oils extracted through supercritical CO₂ and hexane-soaking extractions which induced their typical thermal properties. The isothermal behaviour of extracted oils related to evaporation was within range of 3.2–7.3% (w/w) at 27 °C. The SEM images of the black pepper confirmed different operation manners of mechanism between extractions using the solvents and heating process. The lowest MIC for both essential oils from conventional hidrodistillation and microwave-assisted hidrodistillation against two bacteria including E. coli and B. subtilis were found to be 137 µg mL⁻¹. The non-isothermal decomposition kinetics were investigated on the essential oil of microwave-assisted hydrodistillation extraction. The activation energies and pre-exponent factors of non-isothermal decomposition were found to be in range of 36.5–73.7 KJ mol⁻¹ and 4.98 × 10³–1.97 × 10⁸ s⁻¹, respectively, dependent on conversional fractions of the oil. The results revealed that chemical components, physicochemical properties and bioactivity of black pepper essential oils depended on the extraction techniques.     

Multi-configuration electron-hole potential method for excited states

The recently proposed electron-hole potential (EHP) method for excited states is extended to the multi-configurational case. The variation equation is solved using the quadratic convergence method. The EHP methods are shown to be approximations to the complete singly excited configuration interaction (CSECI) in the variational sense. Extended Brillouin theorems are proved for the EHP methods. The excitation energies and wave functions obtained by one and two configurational EHP methods agree well with those of the CSECI method. The EHP methods have clear advantage in the computer time requirement over the CI method and are especially suited for a calculation of approximate excited states of large molecules. The EHP methods are applicable to excited states which belong to the same irreducible representation as the ground state.     

用非对称零标架研究Vaidya-Bonner-de Sitter黑洞Dirac粒子的热辐射

用一种非对称零标架研究了Vaidya-Bonner-de Sitter黑洞的Dirac方程，对所得方程的各项系数进行了讨论，得出了黑体谱、Hawking温度与视界表面引力．     

南极冰表面上ClONO2与Cl-的反应机理研究

 采用密度泛函理论计算方法B3LYP和基组6-31G(d,p),对ClONO₂+Cl-(H₂O)_n^→Cl₂+NO₃^-(H₂O)_n(n=0,1,2)的反应机理进行了理论计算研究.研究发现,随着参与反应的水分子数n的增加,反应活化能垒降低.计算结果表明,在冰表面上,水一方面通过氢键的参与形成环形团簇复合物降低活化能;另一方面,水分子作为桥,辅助分子间质子发生迁移,加快反应进程,对反应起到一定的催化作用.这与实验观察到的结果相一致.     

Vaidya黑洞周围时空中Dirac粒子的辐射谱及Wien位移定律

利用Vaidya黑洞Dirac场的瞬时辐出度，导出黑洞的辐射谱及Wien位移定律．结果表明黑洞的辐射谱不仅与黑洞的视界温度有关，还与黑洞的质量及视界的变化率有关．因辐射粒子的种类不同，导出的两类粒子的Wien位移定律略有不同．     

Vaidya-Bonner-de Sitter黑洞背景下中微子场和标量场的量子熵

在Tortoise坐标系中，利用Brick—Wall模型研究中微子场和标量场对Vaidya—Bonner—de Sitter黑洞熵的量子修正．当黑洞事件视界不随超前时间变化时，结果与Reissner—Nordstroem—de Sitter黑洞的量子熵完全相同。     

对一类黑洞视界温度的研究

恒星演化到晚期的归宿是白矮星、中子星或黑洞，在形成黑洞时，如果黑洞质量分布不具有球对称性，月存在质量多极矩，这将导致黑洞视界面上出现高温现象，甚至在某些点出现异常温度的情况。     

Early Cambrian eodiscoid trilobites of the Yangtze Platform and their stratigraphic implications

Analysis of the taxonomy and stratigraphic distribution of the Early Cambrian eodiscoid trilobites of the Yangtze Platform indicates that species of Tsunyidiscus and Hupeidiscus can be used for biostratigraphic correlation. T. aclis occurs only in the lower Qiongzhusian, T. armatus occurs in the lower and middle Qiongzhusian, while T. niutitangensis and T. tingi occur mainly in the middle and upper Qiongzhusian, with only T. tingi extending upward into the lower Canglangpuian. H. orientalis first appears in the upper Qiongzhusian, reaching peak abundance in the lower Canglangpuian and becoming extinct above the Drepanuroides Zone. Biostratigraphic and lithostratigraphic correlations indicate that the limestone in the lower part of the Mingxinsi Formation, the Upper Member of Jiumenchong Formation, and the upper part of the Middle Member of the Huangbailing Formation, can be correlated with each other as Hupediscus, an index fossil of the lower Canglangpuian, is abundant in all these units. The lower part of the Niutitang and Jiumenchong formations in eastern Guizhou, which mainly represent Qiongzhusian strata, can be correlated with the Lower Member of the Huangbailing Formation. The basal part of the Niutitang Formation, which may be equivalent to the Upper Meishucunian Shiyantou Formation in eastern Yunnan, is very condensed. Well-preserved sponge faunas and non-mineralized fossils in the lower part of the Niutitang and Hetang formations are not older than Qiongzhusian in age.