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61.
62.
The electrochemical oxidation of 1, 3-benzenedithiol was investigated in a 0. 100 mol/L tetrabutylammonium perchlorate/acetonitrile electrolyte. The electrochemical techniques used were potential sweep, bulk electrolysis, rotating disc and the potential step method. The combination of the techniques yielded the number of electrons transferred per molecule, the reaction order, the transfer coefficient, the diffusion coefficient and concentration of dithiol anions, the standard heterogeneous rate constant as well as the formal potential and equilibrium constant of the preceeding dissociation reaction. This paper also illustrates the methods for studying the electrode kinetics of reactions which (a) involve a chemical reaction preceeding the electron-transfer process, (b) have insoluble polymer products, and (c) are totally irreversible. 相似文献
63.
High-level ab initio calculations are carried out to study the relative stability of the two hydrogen bonded structures of water-hydrogen sulfide complex, one with water as the proton donor (A) and the other with hydrogen sulfide as the proton donor (B). The results show that structure A is considerably more stable than B at the correlated level, which is in contrast with previous results obtained from Hartree-Fock calculations. 相似文献
64.
65.
For approximate wave functions, we prove the theorem that there is a one‐to‐one correspondence between the constraints of normalization and of the Fermi–Coulomb and Coulomb hole charge sum rules at each electron position. This correspondence is surprising in light of the fact that normalization depends on the probability of finding an electron at some position. In contrast, the Fermi–Coulomb hole sum rule depends on the probability of two electrons staying apart because of correlations due to the Pauli exclusion principle and Coulomb repulsion, while the Coulomb hole sum rule depends on Coulomb repulsion. We demonstrate the theorem for the ground state of the He atom by the use of two different approximate wave functions that are functionals rather than functions. The first of these wave function functionals is constructed to satisfy the constraint of normalization, and the second that of the Coulomb hole sum rule for each electron position. Each is then shown to satisfy the other corresponding sum rule. The significance of the theorem for the construction of approximate “exchange‐correlation” and “correlation” energy functionals of density functional theory is also discussed. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007 相似文献
66.
Richard Becker Mladen Prester Ping Hui Lin Mats Johnsson Ivica Zivkovic 《Journal of solid state chemistry》2007,180(3):1051-1059
Two new isostructural cobalt selenite halides Co5(SeO3)4Cl2 and Co5(SeO3)4Br2 have been synthesized. They crystallize in the triclinic system space group P−1 with the following lattice parameters for Co5(SeO3)4Cl2: a=6.4935(8) Å, b=7.7288(8) Å, c=7.7443(10) Å, α=66.051(11)°, β=73.610(11)°, γ=81.268(9)°, and Z=1. The crystal structures were solved from single-crystal X-ray data, R1=3.73 and 4.03 for Co5(SeO3)4Cl2 and Co5(SeO3)4Br2, respectively. The new compounds are isostructural to Ni5(SeO3)4Br2.Magnetic susceptibility measurements on oriented single-crystalline samples show anisotropic response in a broad temperature range. The anisotropic susceptibility is quantitatively interpreted within the zero-field splitting schemes for Co2+ and Ni2+ ions. Sharp low-temperature susceptibility features, at TN=18 and 20 K for Co5(SeO3)4Cl2 and Co5(SeO3)4Br2, respectively, are ascribed to antiferromagnetic ordering in a minority magnetic subsystem. In isostructural Ni5(SeO3)4Br2 magnetically ordered subsystem represents a majority fraction (TN=46 K). Nevertheless, anisotropic susceptibility of Ni5(SeO3)4Br2 is dominated at low temperatures by a minority fraction, subject to single-ion anisotropy effects and increasing population of Sz=0 (singlet) ground state of octahedrally coordinated Ni2+. 相似文献
67.
We present a semimonolithic frequency-doubler from 1080 to 540 nm with 80% doubling efficiency and up to 849-mW output power of green light. 相似文献
68.
Zhihui Zhao Hui Dai Xiangmei Wu Haitao Chang Xiaoming Gao Mengjun Liu Pengfei Tu 《Chemistry of Natural Compounds》2007,43(4):374-376
A pectic polysaccharide was isolated from the fruits of Ziziphus jujuba Mill. cv. jinsixiaozao Hort. and its structure was characterized by acid hydrolysis, methylation, and NMR spectroscopies.
The purified fraction Ju-B-7 had a molecular mass of over 2000 kDa. Chemical and spectroscopic analyses indicated that Ju-B-7
is composed mainly of α-1,4-linked D-galactopyranosyluronic acid and 1,2-linked L-rhamnose with a molar ratio of 8.1:1. It can significantly stimulate
spleen cell proliferation in vitro (P<0.01, 10 μmg/mL).
Published in Khimiya Prirodnykh Soedinenii, No. 4, pp. 311–312, July–August, 2007. 相似文献
69.
For vertical-cavity surface-emitting lasers (VCSELs) with polarization-rotated feedback, there exist several synchronization
types such as synchronizations between total powers and synchronizations between separate polarization modes. Based on the
two-mode rate equations, we study and compare numerically the performances of different synchronization types. Our results
show that three synchronization types exhibit good performances when their synchronization conditions are satisfied. They
are the complete synchronization between total powers, complete synchronization between x-polarized modes, and generalized synchronization between x-polarized and y-polarized modes. The former two types are sensitive to the injection rate and spontaneous emission, while the third type
is contrary. Synchronization type with the best performance may switch from one to another, with changing of injection rate
and spontaneous emission factor. 相似文献
70.
基于事前评价过程和自然界生物进化过程的相似性,提出了系统结构、系统结构模式和系统环境模式矩阵的概念,并根据系统结构、系统结构模式与系统环境模式矩阵的适应程度,建立了模式评价决策模型,制定了评价系统的评价分类准则,并对评价系统作了一定的理论分析.将此模型和方法应用于城市生态安全评价中,通过与模糊综合评价法的比较,表明了该评价模型和方法的优越性. 相似文献