4-乙酰基吡啶红外和拉曼光谱的密度泛函理论研究

4-乙酰基吡啶是一种重要的添加剂和医药中间体。在室温条件下使用液膜法测定了4-乙酰基吡啶的红外光谱和拉曼光谱,结合密度泛函理论在高水平基组条件下计算得到的稳定构型、振动频率和各谱带的势能分布,对观测到的谱带做出了全面指认和详细分析,为该类化合物的实验鉴别提供了理论依据。     

The 4D Klein-Gordon, Dirac and Quantization Equations from 5D Null Paths

Results from 5D induced-matter and membrane theory with null paths are extended to show that a particle obeys the 4D Klein-Gordon equation but with a variable mass. The Dirac equation also follows, but raises concerns about 4D quantization in the two natural 5D gauges, and reopens the question of a Regge-like trajectory for the spin angular momenta and squared masses of gravitationally-dominated systems.     

Existence and uniqueness of v-asymptotic expansions and Colombeau's generalized numbers

We define a type of generalized asymptotic series called v-asymptotic. We show that every function with moderate growth at infinity has a v-asymptotic expansion. We also describe the set of v-asymptotic series, where a given function with moderate growth has a unique v-asymptotic expansion. As an application to random matrix theory we calculate the coefficients and establish the uniqueness of the v-asymptotic expansion of an integral with a large parameter. As another application (with significance in the non-linear theory of generalized functions) we show that every Colombeau's generalized number has a v-asymptotic expansion. A similar result follows for Colombeau's generalized functions, in particular, for all Schwartz distributions.     

p-adic Arakelov theory

We introduce the p-adic analogue of Arakelov intersection theory on arithmetic surfaces. The intersection pairing in an extension of the p-adic height pairing for divisors of degree 0 in the form described by Coleman and Gross. It also uses Coleman integration and is related to work of Colmez on p-adic Green functions. We introduce the p-adic version of a metrized line bundle and define the metric on the determinant of its cohomology in the style of Faltings. We also prove analogues of the Adjunction formula and the Riemann-Roch formula.     

Controlling Surface Interactions with Grafted Polymers

The interactions between surfaces modified with grafted polymers is studied theoretically. The aim of this work is to find polymer surface modifications that will result in localized attractive interactions between the surfaces. The practical motivation of the work is to find means to control the distance between bilayers and solid supports in supported membranes. Two theoretical approaches are used, the analytical treatment of Alexander and a molecular theory. It is found that grafting each end of the polymer to each surface results in an interaction with a well defined minimum. The location of the minima is found to be very close to the thickness of the polymer layer when the chains are grafted to only one of the surfaces. The predictions of the analytical theory are in excellent agreement with the molecular approach in this case. It is found that increasing the surface coverage increases the strength of the interaction. However, increasing the polymer chain length at fixed surface coverage results in a decrease of the free energy cost associated with separating the surfaces from their optimal distance. For the cases in which grafting to both surfaces is not possible, the molecular theory is used to study the effect of functionalizing segments of the chain to achieve an attractive well. It is found that by functionalizing the free end-groups of the polymers with segments attracted to the membrane, the range of the attractive interaction is significantly larger than the thickness of the unperturbed layer. Functionlizing the middle segments of the chains results in a shorter range attraction but of the same strength as in the end-functionalized layers. The optimal polymer modification is found to be such that the functionlized groups are attracted to the bare surface but are not attracted to the grafting surface. The relevance of the results to the design of experimental surface modifiers is discussed.     

成批到达的有特殊服务时间的多重休假排队系统分析

本文利用嵌入马尔可夫链方法研究了多重休假M^X／Gn／1排队系统。首先，利用概率分析法得到了排队系统的嵌入马尔可夫链的一步转移概率矩阵，以此为依据得到系统的稳态队长和同批第一个接受服务顾客的稳态等待时间。     

Comodules and Landweber exact homology theories

We show that, if E is a commutative MU-algebra spectrum such that is Landweber exact over , then the category of -comodules is equivalent to a localization of the category of -comodules. This localization depends only on the heights of E at the integer primes p. It follows, for example, that the category of -comodules is equivalent to the category of -comodules. These equivalences give simple proofs and generalizations of the Miller-Ravenel and Morava change of rings theorems. We also deduce structural results about the category of -comodules. We prove that every -comodule has a primitive, we give a classification of invariant prime ideals in , and we give a version of the Landweber filtration theorem.     

André-Quillen cohomology and rational homotopy of function spaces

We develop a simple theory of André-Quillen cohomology for commutative differential graded algebras over a field of characteristic zero. We then relate it to the homotopy groups of function spaces and spaces of homotopy self-equivalences of rational nilpotent CW-complexes. This puts certain results of Sullivan in a more conceptual framework.     

A p-adic Simpson correspondence

For curves over a p-adic field we construct an equivalence between the category of Higgs-bundles and that of “generalised representation” of the etale fundamental group. The definition of “generalised representations” uses p-adic Hodge theory and almost etale coverings, and it includes usual representations which form a full subcategory. The equivalence depends on the choice of an exponential function for the multiplicative group.     

Attractor minimal sets for cooperative and strongly convex delay differential systems

We study the skew-product semiflow induced by a family of convex and cooperative delay differential systems. Under some monotonicity assumptions, we obtain an ergodic representation for the upper Lyapunov exponent of a minimal subset. In addition, when eventually strong convexity at one point is assumed and there exist two completely strongly ordered minimal subsets K₁?_CK₂, we show that K₁ is an attractor subset which is a copy of the base. The long-time behaviour of every trajectory strongly ordered with K₂ is then deduced. Some examples of application of the theory are shown.