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1.
运用G98W，采用STO－3G基组，对茂金属配合物{o－[OPh(CO2)(R)]Zr(C5H4SiMe3)2}（R：（1）.NO2，（2）.CN,(3).Ph,(4).OH,(5).Me)进行从头算研究，探讨这些配合物结构单元的稳定性、分子轨道能量、原子净电荷布居规律，以及一些前沿分子轨道的组成特征等，为催化活性研究和分子设计提供理论参考。 相似文献
2.
王碧 《宁德师专学报(自然科学版)》1995,(1)
本文用ＨＭＯ法计算出１，３－丁二烯、１，３－戊二烯的类共轭体系的分子轨道．由计算出的前线分子轨道（ＦＭＯ）信息，用ＦＭＯ理论解释了共轭烯烃的１，２加成和１，４加成． 相似文献
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价电子对互斥理论浅析 总被引：1，自引：0，他引：1
刘文英 《临沂师范学院学报》1995,(5)
价电子对互斥理论浅析刘文英（山东省教育学院生化系）价电子对互斥理论（简称ＶＳＥＰＲ理论），是在轨道杂化理论之后，用来说明共价分子构型的新理论．该理论认为：在一个多原子共价分子中，中心原子周围的价电子对（包括成键电子对和孤电子对）彼此的位置排布的尽可能... 相似文献
4.
《安徽教育学院学报》1998,(1)
判断分子中是否具有离域π键及π键的类型是无机化学教学的基本内容之一。本文利用休克尔分子轨道（HMO法）来处理NO2分子，以讨论HO2分子中离城π键类型。 相似文献
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用价层电子对互斥理论、杂化轨道理论和分子轨道理论的基本观点阐明了NO2、N2O4分子的键合作用，给出这两种分子空间构型及结构数据的解释． 相似文献
7.
本文在阐述了原子轨道、杂化轨道、分子轨道以及群轨道的基础上，讨论了它们之间的联系与区别，指出杂化轨道和分子轨道都可以用群轨道来表示。 相似文献
8.
采用密度泛函（DFY）B3LYP／6—311G^＊＊方法,对可能存在的33种2,6-二巯基嘌呤互变异构体在气相和水相中进行了几何构型全自由度优化,并计算出最高占据轨道能量（即HOMO能量）和最低空轨道能量（即LUMO能量）及各异构体的第一电离势、电子亲合能、最高占据轨道和最低空轨道之间的能级间隙、费米能级等参数．分析讨论了各异构体在气相和水相中的化学活性,为该分子药理活性的实验研究提供了有价值的参考信息． 相似文献
9.
例1 （2005年咸宁模拟题）科学研究发现，氮气不活泼，在3000℃时仅有0．1％的分子分裂．在0℃、常压条件下，向密闭容器M中充入一定量的氮气，而后只升高温度（不超过300℃），不改变压强。若将该密闭容器的容积增大一倍，则M内分子变化的示意图合理的是（）。 相似文献
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周立群 《齐齐哈尔师范高等专科学校学报》2000,19(3):21-24
本将高等代数的中的“矩阵的转置”定义为“矩阵的主转置”,由此给出矩阵的次转置、行转置、列转置的定义,得出相关结论,并予以严格证明,这对矩阵的深入研究有着极其重要的意义。 相似文献
12.
竺洪波 《南京师范大学文学院学报》2005,(1):150-156
通过考察中国戏曲与小说的发展轨迹，结合两的整体关系，指出《西游记》杂剧记叙唐僧取经内容完整，结构宏大，由此演进为小说具有必然性，并进而对它在后世百回本小说《西游记》成书过程中的影响和作用作了具体、客观的评析。 相似文献
13.
Contract research,the university,and the academic 总被引：1，自引：0，他引：1
Bruce Crawshaw 《Higher Education》1985,14(6):665-682
With the decline in the funding of university research activities from traditional sources, many universities are instigating contract research programs as a means of funding research. This article examines some of the implications of university-based contract research, drawing largely on the author's own experiences. The problems which are examined include the moral and ethical implications, the legal aspects, problems over ownership of research results, the implications for staff rights, the status of contract researchers, the implications for publication, problems of authority, responsibility and social justice, and the conflicts between teaching and research. The article concludes with eleven points for successful university-based contract research. 相似文献
14.
刘湘溶 《湖南师范大学教育科学学报》2008,7(3):91-93
创新型人才是社会化、城市化和国际化水平较高的人才。社会化是造就创新人才的基础,城市化是造就创新人才的必要前提,国际化是造就创新人才的重要途径。大学是完成一个人社会化、城市化和国际化的关键阶段,现时代的大学应按照社会化、城市化和国际化的需要不断深化教育教学改革,以社会化、城市化和国际化为要求调整人才培养目标,完善教育教学体系,丰富大学生实践活动。 相似文献
15.
Sharon Bailin 《Interchange》1992,23(1-2):63-69
This paper examines recent claims that the bodies of knowledge, the standards, and the methods of rational inquiry promulgated by the university are undemocratic, representing a hegemony of Western, middle-class, male culture. It argues that such a view is based on a social construction view of knowledge and points out several problems with this view. It further argues that democracy is not simply a matter of consensus but presupposes rational debate and such rationality is embedded in our cultural traditions of knowledge and inquiry. These traditions are not simply monolithic and static, but are arenas of controversy and debate, and their critical modes of inquiry provide the possibility for evolution and for critique of the traditions themselves. Thus even the criticisms brought forth by the critics of the traditions have grown out of and presuppose the very traditions which they seek to undermine. There is a strong case for investigating the social influences on what has been excluded from the canons of the culture, for reclaiming valuable works which have been neglected, and for critically examining the methodologies of the disciplines. Nonetheless the rejection of rational modes of inquiry seriously undermines the possibility for democracy. 相似文献
16.
Roland Penner 《Interchange》1994,25(1):49-53
Legal status collective bargaining between faculty associations and university administrations has affected university governance and, on the whole, has done so positively by democratizing most of the procedures used to determine the terms and conditions of faculty employment. To the extent that matters hitherto within the mandates of academic senates have been removed to the collective bargaining regime, senates have been somewhat weakened. The greatest danger to democracy on the campus probably lies in the bureaucratization of faculty associations, thus leaving them open to the partial paralysis of creeping legalism. 相似文献
17.
Jamel K. Donnor 《Peabody Journal of Education》2018,93(1):23-37
In this paper, I examine the use of litigation as a strategic tool of resistance for thwarting school desegregation. Utilizing Cowan v. Bolivar County Board of Education as a case study, I argue that, despite losing the constitutional right to racially segregate public schools according to an explicit white supremacist doctrine, whites in Bolivar County, Mississippi, were successful in stemming the impending tide of social change associated with school desegregation through litigation. Litigious resistance not only provided southern whites with a racially moderate epistemology for undermining school desegregation regionally, but their legal challenges to school desegregation also laid the groundwork for non-southern white animus toward all federal education policies that promoted racial inclusion. 相似文献
18.
Karen L. Jones Peter Tymms David Kemethofer Joe O’Hara Gerry McNamara Stephan Huber 《牛津教育评论》2017,43(6):805-822
It has been widely documented that accountability systems, including school inspections, bring with them unintended side effects. These unintended effects are often negative and have the potential to undo the intended positive effects. However the empirical evidence is limited. Through a European comparative study we have had the rare opportunity to collect empirical evidence and study the effects (both intended and unintended) of school inspections (a key system of accountability) in a systematic way, across seven countries. We present the findings of the unintended effects in this paper. Survey self-report responses from school principals in each country, with differing school inspection systems, are analysed to measure the prevalence of these unintended effects and to investigate the part played by pressure to do well in inspections. A key finding is that increasing pressure in school inspection systems is associated with the undesired effect of the narrowing and refocusing of the curriculum and instructional strategies. We also show that a proportion of school principals admit to misrepresenting the school in data sent to the inspectorate and show evidence for formalisation/proceduralisation (excessive focus on records) and ossification (fear of experimentation in teaching), although these factors are less related to changes in pressure. 相似文献
19.
《Journal of moral education》2012,41(4):430-442
Here the author takes ren-humanity to be, as Confucius says, an underlying, ineffable, potentially universal human quality, and draws a distinction between three different types of moral capacity in the Lunyu: the man of ren’s capacity for li-proper interactions, his capacity for total reciprocity with another, and his capacity to make moral discriminations. The nature of these moral judgments is then discussed in relation to the praxis of entering into shu-reciprocity with another and that of recognizing others’ actions as being li-proper. A key question is that of whether even an intuitive feeling of commonality, if not identity, with another man-of-ren involves a subjective judgment. Confucius’ view that foreigners can respect ren even if they may not possess it is also discussed. The author suggests that any viable ethical model would need to maintain a universal standard of humaneness while also including a maximum degree of openness to the other. 相似文献
20.
Maren Elfert 《European Journal of Education》2015,50(1):88-100
Two education reports commissioned by the United Nations Educational, Scientific and Cultural Organization (UNESCO), Learning to be, otherwise known as the Faure report (1972) and Learning: The treasure within, otherwise known as the Delors report (1996), have been associated with the establishment of lifelong learning as a global educational paradigm. In this article, which draws on archival research and interviews, I will explore how these two reports have contributed to debates on the purpose of education and learning. In the first half, I will shed light on their origins, the context in which they came about, how they have been received by the education community and by UNESCO member states and how they have been discussed in the scholarly literature. In the second half, I will discuss the key themes of the reports, in particular lifelong learning as the global educational ‘master concept’. In the last section, I will reflect on how the Faure report and the Delors report are still relevant for our debates about learning today. I will argue that the concept of lifelong learning, as put forward by these reports, was a political utopia which is at odds with today's utilitarian view of education. 相似文献