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81.
In the traditional form of canonical quantization, certain field components (not having conjugate momenta) must be regarded as noncanonical. This long-known distinction enters modern gauge theories, when they are canonically quantized as by Kugo and Ojima. We avoid that peculiarity by not using any conjugate momenta at all. In our formulation, canonical quantization can be related to Feynman's path integral. 相似文献
82.
ShuXiaCAO JianChenZHANG JunXU XinChengLIAO YuFenZHAO 《中国化学快报》2004,15(7):817-820
Hydrolysis procedure of N-phosphoryl phenylalanine (DIPP-Phe) was studied by HPLC-ESI-MS/MS. The results showed that (HO)(i-PrO)P(O)Phe was the main intermediate and the hydrolysis of DIPP-Phe also occurred through a penta-coordinate transition state. 相似文献
83.
84.
John T. W. Lai Frankie W. Lau Damon Robb Peter Westh Gerda Nielsen Christa Trandum Aase Hvidt Yoshikata Koga 《Journal of solution chemistry》1995,24(1):89-102
The excess partial molar enthalpies, the vapor pressures, and the densities of dimethylsulfoxide (DMSO)–H2O mixtures were measured and the excess partial molar Gibbs energies and the partial molar volumes were calculated for DMSO and for H2O. The values of the excess partial molar Gibbs energies for both DMSO and H2O are negative over the entire composition range. The results for the water-rich region indicated that the presence of DMSO enhances the hydrogen bond network of H2O. Unlike monohydric alcohols, however, the solute-solute interaction is repulsive in terms of the Gibbs energy. This was a result of the fact that the repulsion among solutes in terms of enthalpy surpassed the attraction in terms of entropy. The data in the DMSO-rich region suggest that DMSO molecules form clusters which protect H2O molecules from exposure to the nonpolar alkyl groups of DMSO. 相似文献
85.
乙酰化淀粉/DL-丙交酯接枝共聚物的合成及降解性能研究 总被引:7,自引:0,他引:7
用醋酸乙烯酯和玉米淀粉反应制备出了不同取代度乙酰化淀粉,再用乙酰化淀粉同DL-丙交酯接枝共聚合成乙酰化淀粉/DL-丙交酯接枝共聚物。研究了原料配比,淀粉取代度对接枝反应单体转化率(C%),接枝率(G%)接枝效率(GE%)和接枝支链数均分子量(Mn)的影响,结果表明在给定的试验条件下接枝共聚反应的C%,G%,GE%和Mn可分别达到40%,225%,80%和1.4万。接枝共聚物在磷酸缓冲溶液和户外土壤掩埋降解实验表明,在160天内样品失重率分别为71%和60%,表明合成的乙酰化淀粉/DL-丙交酯接枝共聚物具有很好的降解性能。 相似文献
86.
8,15,23,30-Tetramethyl[2.1.2.1]metacyclophane,4, is synthesised. Variable temperature 1Hmr and 13Cmr spectra indicate that 4e is the most likely conformation and that at temperatures above 50°C the molecule is fluxional (ΔG≠323 = 15.4 kcal/mole). 相似文献
87.
贮氢材料电极循环寿命的定量预测定时放电半衰期法的应用韩剑文,袁满雪,周作祥,赖城明(南开大学化学系天津300071)关键词:贮氢电极,循环寿命,半衰期。前文 ̄[1]讨论了应用定终点电位放电半衰期法来预测贮氢材料电极循环寿命的问题。本文讨论如何采用定时... 相似文献
88.
The substituent effects on O-H and O-CH(3) bond dissociation energies for a series of 18 para-substituted phenols (p-XC(6)H(4)OH) and 11 para-substituted anisoles have been studied using the density functional method in order to understand the origin of these effects. The calculated substituent effects agree well with experimental measurements for phenols but are substantially larger than the reported values for anisoles. Both ground-state effect and radical effect contribute significantly to the overall substituent effect. An electron-donating group causes a destabilization in phenols or anisoles (ground-state effect) but a stabilization in the phenoxy radicals (radical effect), resulting in reduced O-R bond dissociation energy. An electron-withdrawing group has the opposite effect. In most cases, the radical effect is more important than the ground-state effect. There is a good correlation between the calculated radical effects and calculated variations in charge and spin density on the phenoxy oxygen. This supports the concept that both polar and spin delocalization effects influence the stability of the phenoxy radical. While almost every para-substituent causes a stabilization of the phenoxy radical by spin delocalization, electron-donating groups stabilize and electron-withdrawing groups destabilize the phenoxy radical by the polar effect. 相似文献
89.
90.
Xiu‐Li Dong Zheng‐Yu Zhou Lai‐Jin Tian Gang Zhao 《International journal of quantum chemistry》2005,102(4):461-469
The hydrogen bonding complexes HO(H2O)n (n = 1–3) were completely investigated in the present study using DFT and MP2 methods at varied basis set levels from 6‐31++G(d,p) to 6‐311++G(2d,2p). For n = 1 two, for n = 2 two, and for n = 3 five reasonable geometries are considered. The optimized geometric parameters and interaction energies for various complexes at different levels are estimated. The infrared spectrum frequencies and IR intensities of the most stable structures are reported. Finally, thermochemistry studies are also carried out. The results indicate that the formation and the number of hydrogen bonding have played an important role in the structures and relative stabilities of different complexes. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005 相似文献