聚醚醚酮链结构与反应的模型化合物的量子化学研究

利用ＡＭ１方法对聚醚醚酮模型化合物全优化，结果为：芳环平均相互扭转角为３３．０度，桥键角１１７．０－１１８．０度，其分子结构拓扑图形表明：所有苯环（核）为平面构型，但其内角扭曲；其氢原子对苯环构型无实质性贡献，在更长链的计算中，冻结苯核与氢原子也得出满意结果，根据Ｍｕｌｌｉｋｅｎ键序与电荷讨论了醚交换与磺化反应。     

Photosensitized formation of singlet oxygen by vitamins of the B group

Presented at the XV IUPAC Symposium on Photochemistry, Prague, July 17–22, 1994.     

The Investigation of Bulk and Surface Polariton Modes in Ga1?xNxAs by Using Infrared Magneto Spectroscopy

We present and discuss infrared magnetoplasma reflectivity and surface polariton modes in Ga_1–xN_xAs. It assumed that the sample is characterized by a magnetoplasma dielectric tensor. Surface polariton dispersion for two component magnetoplasma was calculated from reflectivity spectra data. We detect transverse optic phonon of GaN sublattice in 470 cm^-1. The origin of sharp feature in p-polarization reflectivity about 300 cm^–1 as well as LO phonon frequency of GaAs sublattice is due to Brewster mode. An interesting feature of surface modes in Voigt geometry is nonreciprocalicity, which means that the frequency changes when the direction of propagation is reversed. Also, the infrared magnetoplasma reflectivity of GaNAs should be providing determination of the electrons and heavy holes effective mass and carrier's concentration.     

Wave-vector diagrams for two-dimensional photonic crystals

Photonic crystals exhibit band gaps, meaning that electromagnetic fields cannot propagate in them for specific ranges of wavelengths and directions. The calculation of band structure diagrams has been intensively studied and is now well understood. In contrast to that, so-called wave-vector diagrams (i.e. dispersion surfaces, depicting the loci of all relevant wave vectors at a fixed wavelength) are less known and used. In principle, they show how the effective index of the structure depends on the direction of propagation. A method to calculate explicitly wave-vector diagrams for two-dimensional photonic crystals is derived which leads finally to quadratic eigenvalue problems. Results for square and triangular lattices are presented and some applications are discussed.     

Excess enthalpies of some 2-alkanone + 1-chloroalkane binary mixtures at 25 and 35°C

Excess molar enthalpies h^E at 25 and 35° C and atmospheric pressure, are reported for the binary mixtures formed by a 2-butanone and 2-pentanone with 1-chlorobutane, 1-chloropentane, 1-chlorohexane, or 1-chlorooctane. The h^E values for all the mixtures are positive, increasing as the 1-chloroalkane length increases and as the ketone length decreases. Excess molar enthalpies depend slightly on the temperature. The experimental values together with those from the literature were used to calculate the interaction parameters for the Dang-Tassios version of the UNIFAC model.Communicated at the Festsymposium celebrating Dr. Henry V. Kehiaian's 60^th birthday, Clermont-Ferrand, France, 17–18 May 1990.     

Constrained control for uncertain linear systems

The linear state feedback synthesis problem for uncertain linear systems with state and control constraints is considered. We assume that the uncertainties are present in both the state and input matrices and they are bounded. The main goal is to find a linear control law assuring that both state and input constraints are fulfilled at each time. The problem is solved by confining the state within a compact and convex positively invariant set contained in the allowable state region.It is shown that, if the controls, the state, and the uncertainties are subject to linear inequality constraints and if a candidate compact and convex polyhedral set is assigned, a feedback matrix assuring that this region is positively invariant for the closed-loop system is found as a solution of a set of linear inequalities for both continuous and discrete time design problems.These results are extended to the case in which additive disturbances are present. The relationship between positive invariance and system stability is investigated and conditions for the existence of positively invariant regions of the polyhedral type are given.The author is grateful to Drs. Vito Cerone and Roberto Tempo for their comments.     

Cyclic reduction and FACR methods for piecewise hermite bicubic orthogonal spline collocation

Cyclic reduction and Fourier analysis-cyclic reduction (FACR) methods are presented for the solution of the linear systems which arise when orthogonal spline collocation with piecewise Hermite bicubics is applied to boundary value problems for certain separable partial differential equations on a rectangle. On anN×N uniform partition, the cyclic reduction and Fourier analysis-cyclic reduction methods requireO(N ²log₂ N) andO(N ²log₂log₂ N) arithmetic operations, respectively.     

平面2n+1次系统极限环的唯一性

讨论了微分方程组 dx/dt=-y(1 -ax2 n) +bx-cx2 n+ 1,dy/dt=x(1 -ax2 n) ,并且给出了其极限环存在唯一的条件 .     

Radical copolymerization of 2‐trifluoromethylacrylic monomers. II. Kinetics,monomer reactivities,and penultimate effect in their copolymerization with norbornenes and vinyl ethers

Radical copolymerizations of electron‐deficient 2‐trifluoromethylacrylic (TFMA) monomers, such as 2‐trifluoromethylacrylic acid and t‐butyl 2‐trifluoromethylacrylate (TBTFMA), with electron‐rich norbornene derivatives and vinyl ethers with 2,2′‐azobisisobutyronitrile as the initiator were investigated in detail through the analysis of the kinetics in situ with ¹H NMR and through the determination of the monomer reactivity ratios. The norbornene derivatives used in this study included bicyclo[2.2.1]hept‐2‐ene (norbornene) and 5‐(2‐trifluoromethyl‐1,1,1‐trifluoro‐2‐hydroxylpropyl)‐2‐norbornene. The vinyl ether monomers were ethyl vinyl ether, t‐butyl vinyl ether, and 3,4‐dihydro‐2‐H‐pyran. Vinylene carbonate was found to copolymerize with TBTFMA. Although none of the monomers underwent radical homopolymerization under normal conditions, they copolymerized readily, producing a copolymer containing 60–70 mol % TFMA. The copolymerization of the TFMA monomer with norbornenes and vinyl ethers deviated from the terminal model and could be described by the penultimate model. The copolymers of TFMA reported in this article were evaluated as chemical amplification resist polymers for the emerging field of 157‐nm lithography. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 1478–1505, 2004