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101.
威廉·福克纳是一位风靡世界文坛的伟大作家。他的一生创造作品无数,国内外许多专家学者也对他的作品进行了多方面、多视角的学术研究。然而将他的作品同新兴的生态文学批评联系起来的评论却仍然屈指可数。用上个世纪末崛起的、以探讨人与自然关系为主题的生态批评分析福克纳中篇小说《熊》中体现的深邃的生态思想,希望能以此丰富对这位文学大师的研究并进一步唤醒人们的生态意识。 相似文献
102.
The detailed isomerization and dissociation reaction potential energy profile of the CH3PO2 system was established at the UCCSD(T)/6‐311++G(3df,2p)//UB3LYP/6‐311++G(d,p) level of theory. Seventy minimum isomers were located and connected by 93 optimized interconversion transition states. Furthermore, 32 isomers with high kinetic stability were predicted to be possible candidates for further experimental detection. The bonding nature of the suggested stable isomers was analyzed while their molecular properties including heats of formation, adiabatic ionization potentials, and adiabatic electronic affinities were calculated at the G2, G2(MP2), G3, and CBS‐Q levels. Based on the isomerization and dissociation potential energy surface, possible unimolecular decomposition mechanisms and pathways of the low‐lying molecules CH3P(?O)2, CH3O? P?O, and CH2?P(?O)OH were discussed. Furthermore, the transition state theory rate constants of the primary unimolecular dissociation channels were also calculated. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2009 相似文献
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LeiLi Xiao-dongZhao Jing-lunZhou Xing-heFan Xiao-fangChen Xin-huaWan Qi-fengZhou 《高分子科学》2004,(4):349-353
Aromatic polybenzoxazole (PBO) precursor, hydroxy-substituted polyenaminonitrile, was prepared by direct polycondensation of 1,4-bis(l-chloro-2,2-dicyanovinyl)benzene (CCB) and 4,6-diaminoresorcinol dihydrochloride (DAR) using pyridine and N,N-dimethylacetamide as condensing agent and solvent. The precursor has good solubility in polar aprotic solvent which is due to the strong dipolar nature of the main chain. The soluble precursor was subjected to thermal cyclization in an inert atmosphere to convert it into the corresponding PBO, which has its 5% weight loss temperature at 540℃ The fully cyclized PBO were characterized by FT-IR and TGA. The introduction of 10% mol 1,3,5-benzenetricarboxylic chloride (BTC) into the main chain not only has little effect on the solubility of PBO precursor but also raises its 5% weight loss temperature to 552℃ and char yield at 700℃ for the cyclized PBO with BTC. 相似文献
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Meilian Zhao Feng Yang Prof. Ying Xue Prof. Dan Xiao Prof. Yong Guo 《Chemphyschem》2014,15(1):157-164
A comprehensive first‐principles theoretical study of the electronic properties and half‐metallic nature of zigzag edge‐oxidized graphene quantum dots (GQDs) is carried out by using density functional theory (DFT) with the screened exchange hybrid functional of Heyd, Scuseria and Ernzerhof (HSE06). The oxidation schemes include ‐OH, ‐COOH and ‐COO groups. We identify oxidized GQDs whose opposite spins are localized at the two zigzag edges in an antiferromagnetic‐type configuration, showing a spin‐polarized ground state. Oxidized GQDs are more stable than the corresponding fully hydrogenated GQDs. The partially hydroxylated and carboxylated GQDs with the same size exhibit half‐metallic state under almost the same electric‐field intensity whereas fully oxidized GQDs behave as spin‐selective semiconductors. The electric‐field intensity inducing the half metal increases with the length of the partially oxidized GQDs, ranging from M=4 to 7. 相似文献
107.
加氢脱氮催化研究的新进展 总被引:9,自引:0,他引:9
化石燃料的加氢脱氮有利于改善油品质量及其稳定性,同时避免燃烧时NOx的排放。本文介绍了不同化石燃料中有机氮化物的含量及类型,对不同加氢脱氮催化剂及其催化活性位的本质进行了探讨,同时论述了C—N键断裂机理及燃料中主要有机氮化物的HDN反应网络。着重概述了传统金属硫化物催化剂的改性方法,新型的金属碳化物、金属氮化物和金属磷化物催化剂的研究现状。 相似文献
108.
Kenzo Ohkita Hideo Kurosawa Toshikazu Hirao Isao Ikeda 《Journal of organometallic chemistry》1994,470(1-2):189-190
Relative stability in coordination of substituted styrene derivatives to [Ru(η-C5H5)(dtpe)]+ (dtpe = 1,2-bis(di-p-tolylphosphino)-ethane) was determined by NMR spectroscopy to reveal unusually weak substituent dependency of the stability. 相似文献
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A noble interaction: An assessment of noble gas binding ability of metal oxides (metal = Cu,Ag, Au) 下载免费PDF全文
Sudip Pan Ranajit Saha Anand Kumar Ashutosh Gupta Gabriel Merino Pratim K. Chattaraj 《International journal of quantum chemistry》2016,116(13):1016-1024
An in silico study is performed on the structure and the stability of noble gas (Ng) bound MO complexes (M = Cu, Ag, Au). To understand the stability of these Ng bound complexes, dissociation energies, dissociation enthalpy, and dissociation free energy change are computed. The stability of NgMO is also compared with that of the experimentally detected NgMX (X= F, Cl, Br). It is found that MO has lower Ng binding ability than that of MX. All the dissociation processes producing Ng and MO are endothermic in nature and for the Kr‐Rn bound MO (M = Cu, Au), and Xe and Rn bound AgO cases, the corresponding dissociation processes are turned out to be endergonic in nature at standard state. The Wiberg bond indices of Ng? M bonds and Ng→M electron transfer gradually increase from Ar to Rn and for the same Ng they follow the order of NgAuO > NgCuO > NgAgO. Energy decomposition analysis shows that the Ng? M bonds in NgMO are partly covalent and partly electrostatic in nature. Electron density analysis further highlights the partial covalent character in Ng? M bonds. © 2016 Wiley Periodicals, Inc. 相似文献