对求解非线性方程方法的探索

BaiCL在2001年提出了双曲函数法，并把解设成具体的双曲函数，即sinhw和coshw的线性组合．本文把解设成是由2个函数f(ξ)和g(ξ)组成的线性组合，它们可以有多种取法，从而使方程更直接、更有效．借助数学软件Maple，用改进后的方法和吴文俊消元法，求解Bai C L文中的一个例子，获得了包含Bai文结果在内的更为丰富、精确的行波解．     

The diastereoselective synthesis of functionalised isoxazolidines using a Cope elimination/intramolecular nitrone cycloaddition strategy

Functionalised hydroxylamine derivatives of (S)-prolinol prepared by a Cope elimination have been found to undergo oxidation to the nitrone either in the presence of air or a catalytic quantity of TPAP. These undergo intramolecular cycloaddition to give tricyclic isoxazolidines with high diastereoselectivity.     

直接求线性规划可行基的一种方法

本文给出直接求线性规划问题基可行解的一种简易方法,该方法既避免了引入人工变量,减少存储,一般又能较快地得到一个较好的基可行解.     

A Relationship Among Gentzen's Proof-Reduction,Kirby-Paris' Hydra Game and Buchholz's Hydra Game

We first note that Gentzen's proof-reduction for his consistency proof of PA can be directly interpreted as moves of Kirby-Paris' Hydra Game, which implies a direct independence proof of the game (Section 1 and Appendix). Buchholz's Hydra Game for labeled hydras is known to be much stronger than PA. However, we show that the one-dimensional version of Buchholz's Game can be exactly identified to Kirby-Paris' Game (which is two-dimensional but without labels), by a simple and natural interpretation (Section 2). Jervell proposed another type of a combinatorial game, by abstracting Gentzen's proof-reductions and showed that his game is independent of PA. We show (Section 3) that this Jervell's game is actually much stronger than PA, by showing that the critical ordinal of Jervell's game is φ_ω (0) (while that of PA or of Kirby-Paris' Game is φ₁ (0) = ?₀) in the Veblen hierarchy of ordinals.     

Creation of entangled states of excitons in coupled quantum dots

We present two methods for the creation of two-particle entangled states of excitons in a coupled quantum dot system. The system contains two identical quantum dots that are coupled by an inter-dot hopping process. The manipulation of the system is succeeded by proper application of an external laser field.     

Methods in carbon K-edge NEXAFS: Experiment and analysis

Near-edge X-ray absorption spectroscopy (NEXAFS) is widely used to probe the chemistry and structure of surface layers. Moreover, using ultra-high brilliance polarised synchrotron light sources, it is possible to determine the molecular alignment of ultra-thin surface films. However, the quantitative analysis of NEXAFS data is complicated by many experimental factors and, historically, the essential methods of calibration, normalisation and artefact removal are presented in the literature in a somewhat fragmented manner, thus hindering their integrated implementation as well as their further development. This paper outlines a unified, systematic approach to the collection and quantitative analysis of NEXAFS data with a particular focus upon carbon K-edge spectra. As a consequence, we show that current methods neglect several important aspects of the data analysis process, which we address with a combination of novel and adapted techniques. We discuss multiple approaches in solving the issues commonly encountered in the analysis of NEXAFS data, revealing the inherent assumptions of each approach and providing guidelines for assessing their appropriateness in a broad range of experimental situations.     

碳酸及碳酸酯热消除反应的量子化学研究

用AM1方法研究了碳酸和碳酸酯的热消除反应．发现迁移基团R和基团R’共同制约这类吸热反应的活化能。     

A supported gold catalyst for the elimination of hydrogen from CO2 feed gas in the production of urea

Supported gold catalyst for eliminating hydrogen from CO₂ feed gas in the production of urea is found to be superior to other industrial catalysts (e.g. Pt/Al₂O₃ and PdPt/Al₂O₃) in catalytic activity and resistance to sulfur poisoning.     

One‐Shot Double Elimination Process: A Practical and Concise Protocol for Diaryl Acetylenes

A variety of diaryl acetylenes were obtained in good yields when lithium hexamethyldisilazide was added to a solution of arylmethyl sulfone, aryl aldehyde, and chlorodiethylphosphate in THF. In this one‐shot process, a number of transformations such as aldol reaction, phosphorylation of aldolate, and double elimination of the resulting β‐substituted sulfone proceeded successively to afford the desired acetylenes. The one‐shot process was accelerated by the substitution of halogen atoms on the phenyl groups, and unsymmetrically substituted diaryl acetylenes were obtained without contamination of the dehalogenated products. Diaryl acetylenes with other substituents such as CF₃, ethoxycarbonyl, dimethylamino, TMS‐acetylene groups, as well as pyridinyl and thienyl moieties were also accessible with this method. However, methoxy‐substituted compounds were obtained in moderate yields under the same conditions, but the yields were increased when lithium diisopropylamide was used instead.     

Highly efficient synthesis of 2′,3′-didehydro-2′,3′-dideoxy-β-nucleosides through a sulfur-mediated reductive 2′,3′-trans-elimination. From iodomethylcyclopropanes to thiirane analogs

Taking into account the thiophilic properties of iodine, a very simple methodology to achieve 2′,3′-didehydro-2′,3′-dideoxy-β-nucleosides in high yield was performed, using mild, and inexpensive conditions, by means of the treatment of 2′-deoxy-3′,5′-dibenzoyl-2′-iodo-β-nucleoside derivatives with NaHS. The process has shown to be highly dependent of the relative geometry between the iodine atom and the adjacent leaving group. In this way, different essays carried out with pyranose derivatives have concluded in no reaction when the vicinal groups to eliminate do not adopt a trans-diaxial disposition. In addition, the treatment of 2-iodomethyl-cyclopropane-1,1-dicarboxylic acid diethyl ester under the same conditions softly and readily leads to the obtention of a mixture of the expected 2-allyl-malonic acid diethyl ester (as the minor product) and the thiirane derivative 2-thiiranylmethyl-malonic acid diethyl ester (as the major product). In this case, the responsible of the reaction progress are the nucleophilic properties of the sulfur atom rather than the thiophilic character of the iodine atom.