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The catassembled generation of naphthalene diimide coordination networks with lone pair-π interactions
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作者 Yong Chen Jian-Jun Liu +2 位作者 Chang-Rong Fan Jun-Qian Li Mei-Jin Lin 《Science China Chemistry》 SCIE EI CAS CSCD 2016年第11期1492-1497,共6页
Catassembly is a new concept in molecular assembly that is analogous to catalysis in chemical synthesis. However, for most molecular-assembled processes, the catassembler contributions are rather inconspicuous due to ... Catassembly is a new concept in molecular assembly that is analogous to catalysis in chemical synthesis. However, for most molecular-assembled processes, the catassembler contributions are rather inconspicuous due to the low activation barriers. As a result, few systems dealing with the catassembly are available until now. In this paper, we report that naphthalene diimide coordination networks are formed under the catassembly of lone-pair-bearing catassemblers(e.g., N,N-dimethylacetamide, N-methylpyrrolidin-2-one). During such molecular assembly, a stable transition state between the electron-deficient naphthalene diimide tectons and catassemblers via the less common lone pair-π interactions was observed, which is supposed to play the key role in the enhancement of coordination abilities of organic tectons and thus formation of the final coordination networks. 展开更多
关键词 catassembly coordination network naphthalene diimide lone pair-π interaction
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AB_n型分子或离子中离域π键的讨论 被引量:9
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作者 蔡苹 胡锴 程功臻 《大学化学》 CAS 2016年第12期69-72,共4页
详细讨论了分子中存在离域π键的3个条件和推断分子中离域π键存在形式的3个步骤,同时介绍了原子不共平面时,"离域π键"存在的可能性。文中大量的实例和讨论,有助于读者全面掌握"离域π键"这一知识点。
关键词 离域Π键 价层电子对互斥 杂化轨道
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离子对间电荷转移配合物:阴离子…π作用及近红外吸收(英文)
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作者 刘建兰 姚丙乾 +2 位作者 任小明 沈临江 孟庆金 《无机化学学报》 SCIE CAS CSCD 北大核心 2009年第1期87-91,共5页
合成并表征了一种离子对配合物1,[Cl2Bz-1-Apy]2[Ni(mnt)2],其中,Cl2Bz-1-Apy为(E)-1-(3,4-二氯苯亚甲基氨基)吡啶一价阳离子,mnt是马来二睛基二硫烯二价阴离子。在配合物1的晶体中,阴离子和阳离子中吡啶环之间存在阴离子…π相互作用。... 合成并表征了一种离子对配合物1,[Cl2Bz-1-Apy]2[Ni(mnt)2],其中,Cl2Bz-1-Apy为(E)-1-(3,4-二氯苯亚甲基氨基)吡啶一价阳离子,mnt是马来二睛基二硫烯二价阴离子。在配合物1的晶体中,阴离子和阳离子中吡啶环之间存在阴离子…π相互作用。DFT电荷密度分布分析表明,阴离子…π相互作用主要源自离子对间的Coulomb吸引力。在固体和乙腈溶液电子吸收光谱近红外区,配合物1都有一个宽的弱吸收带,该吸收带可归属为二价阴离子[Ni(mnt)2]2-内的d-d电子跃迁和阴阳离子对间的电荷转移跃迁。 展开更多
关键词 离子对 阴离子…π相互作用 电荷转移 晶体结构 DFT计算
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关于极大π-可分解因子的次正规对
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作者 海进科 王胜芳 李正兴 《山东大学学报(理学版)》 CAS CSCD 北大核心 2014年第2期1-3,共3页
对π-可分群的π-可分解因子的次正规对做进一步地探讨,证明了自同构群在极大π-可分解因子的次正规对集合上有作用。作为该作用的一个直接结果,得到π-可分群的极大π-可分解因子的次正规对是共轭的。特别地,给出了极大π-可分解因子... 对π-可分群的π-可分解因子的次正规对做进一步地探讨,证明了自同构群在极大π-可分解因子的次正规对集合上有作用。作为该作用的一个直接结果,得到π-可分群的极大π-可分解因子的次正规对是共轭的。特别地,给出了极大π-可分解因子的次正规对的Frattini论断。 展开更多
关键词 Π-可分群 极大π-可分解因子的次正规对 π-可分解因子的特征标
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在RHIC的极限碎裂和Ф介子产生(英文)
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作者 萨本豪 苏宗涤 +1 位作者 台安 周代梅 《原子核物理评论》 CAS CSCD 北大核心 2004年第2期142-147,共6页
利用强子和串级联模型LUCIAE研究了PHOBOS的极限碎裂等以及在PHIC进行的Au +Au碰撞中带电粒子多重性的经验标度规律 .对介子的产生机制也通过与带电粒子多重性的比较进行类似的研究 .结果似乎表明在串级碎裂模型中带电粒子和介子有... 利用强子和串级联模型LUCIAE研究了PHOBOS的极限碎裂等以及在PHIC进行的Au +Au碰撞中带电粒子多重性的经验标度规律 .对介子的产生机制也通过与带电粒子多重性的比较进行类似的研究 .结果似乎表明在串级碎裂模型中带电粒子和介子有共同的产生机制 .还讨论了PHOBOS经验标度规律的模型依赖性 . 展开更多
关键词 极限碎裂 带电粒子 能量依赖 参加对标度 Φ介子 串级联模型
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非共价作用对气相中B-DNA双螺旋结构稳定性的贡献:基于GEBF方法的密度泛函理论计算(英文)
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作者 花书贵 金浩 欧阳永中 《物理化学学报》 SCIE CAS CSCD 北大核心 2015年第7期1309-1314,共6页
采用密度泛函理论,将基于能量的分子片方法(GEBF)应用于气相中优化B型脱氧核糖核酸(碱基对数目N=2,5,10)双螺旋构型的结构.通过比较M06-2X泛函和其他方法(B3LYP、B3LYP-vd W和TPSS泛函)的结果,发现不考虑碱基之间的π-π堆积作用将会导... 采用密度泛函理论,将基于能量的分子片方法(GEBF)应用于气相中优化B型脱氧核糖核酸(碱基对数目N=2,5,10)双螺旋构型的结构.通过比较M06-2X泛函和其他方法(B3LYP、B3LYP-vd W和TPSS泛函)的结果,发现不考虑碱基之间的π-π堆积作用将会导致碱基之间的纵向距离拉长.随着体系双螺旋链长的增加,没有考虑碱基堆积作用而导致的相邻碱基纵向距离拉长的程度快速衰减.计算表明,气相中B-DNA双螺旋结构的稳定性来源于其作用力(主要是氢键和π-π堆积作用)的协同性,对不多于10组碱基对的体系而言,其氢键的贡献明显大于碱基堆积作用. 展开更多
关键词 碱基对 氢键 基于能量的分子片方法 Π-Π堆积作用
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关于π-可分群极大次正规对的几个结果
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作者 王胜芳 海进科 《青岛大学学报(自然科学版)》 CAS 2012年第4期27-29,共3页
利用π-可分群极大次正规对的定义与性质,将有限群的Sylow p-子群的一些结论推广到极大次正规对上,得到了几个基本的结果。
关键词 Π-可分群 极大次正规对 对的稳定子 π-factorable特征标
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A CHARACTERIZATION OF M_π-GROUPS 被引量:1
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作者 海进科 李正兴 《Acta Mathematica Scientia》 SCIE CSCD 2013年第4期1071-1075,共5页
Let π be a set of primes. Isaacs established the π-theory of characters, which generalizes the theory of Brauer modular characters. Motivated by Isaacs's work, we introduce the definition of Mπ-groups and provide ... Let π be a set of primes. Isaacs established the π-theory of characters, which generalizes the theory of Brauer modular characters. Motivated by Isaacs's work, we introduce the definition of Mπ-groups and provide a characterization of Mπ-groups. 展开更多
关键词 Bπ'-characters Mπ-groups π'-good pairs
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Efficient identity-based threshold decryption scheme from bilinear pairings 被引量:1
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作者 Wei GAO Guilin WANG +1 位作者 Kefei CHEN Xueli WANG 《Frontiers of Computer Science》 SCIE EI CSCD 2018年第1期177-189,共13页
Using Shamir's secret sharing scheme to indi- rectly share the identity-based private key in the form of a pairing group element, we propose an efficient identity-based threshold decryption scheme from pairings and p... Using Shamir's secret sharing scheme to indi- rectly share the identity-based private key in the form of a pairing group element, we propose an efficient identity-based threshold decryption scheme from pairings and prove its se- curity in the random oracle model. This new paring-based scheme features a few improvements compared with other schemes in the literature. The two most noticeable features are its efficiency, by drastically reducing the number of pair- ing computations, and the ability it gives the user to share the identity-based private key without requiring any access to a private key generator. With the ability it gives the user to share the identity-based private key, our ID-based threshold decryption (IBTD) scheme, the second of its kind, is signif- icantly more efficient than the first scheme, which was de- veloped by Baek and Zheng, at the expense of a slightly in- creased ciphertext length. In fact, our IBTD scheme tries to use as few bilinear pairings as possible, especially without depending on the suite of Baek-Zheng secret sharing tools based on pairings. 展开更多
关键词 identity-based cryptography threshold cryptog-raphy provable security random oracle model bilinear pair-ing identity-based threshold decryption
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γγ interactions with KLOE
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作者 Federico Nguyen 《Chinese Physics C》 SCIE CAS CSCD 2010年第6期795-800,共6页
Studies of γγ interactions are performed with the KLOE detector, without tagging of the outgoing e^+e^-. The data sample is from an integrated luminosity of 240 pb^-1. It was collected at the φ-factory DAONE with... Studies of γγ interactions are performed with the KLOE detector, without tagging of the outgoing e^+e^-. The data sample is from an integrated luminosity of 240 pb^-1. It was collected at the φ-factory DAONE with e^+e^- beams colliding at √s ≌1 GeV, below the φ resonance peak. We present preliminary results concerning the observation of the γγ→η process and the evidence for γγ→π^0π^0 production at low π^0π^0 invariant masses. 展开更多
关键词 e^+e^- collisions pseudoscalar meson width π pair production
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Encumbering the intramolecular π donation by using a bridge: A strategy for designing metal-free compounds to hydrogen activation
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作者 WANG ZhiXiang LU Gang LI HaiXia ZHAO LiLi 《Chinese Science Bulletin》 SCIE EI CAS 2010年第3期239-245,共7页
On the basis of the FLP (frustrated Lewis pair) principle, a new strategy has been proposed to construct the "frustration" in de- signing metal-free hydrogen activation compounds, by using FMO (frontier mole... On the basis of the FLP (frustrated Lewis pair) principle, a new strategy has been proposed to construct the "frustration" in de- signing metal-free hydrogen activation compounds, by using FMO (frontier molecular orbital) analyses and quantum mechanics calculations. Unlike the known FLPs which use bulky substituents to prevent them from forming stable Lewis acid/base com- plexes, the new approach encumbers the intramolecular π donation from the electron donor to the acceptor (e.g. in BH2NH2) by using a CH2 bridge (giving BH2CH2NH2). The strategy is simple and effective. Its effectiveness is demonstrated by the small hy- drogen activation energy (12.0 kcal/mol) of the model molecule (BH2CH2NH2), which is significantly less than the 42.7 kcal/mol of BH2NH2 and also less than the 18.5 kcal/mol of BH2PH2 whose derivative, R2PB(C6F5)2, has been experimentally shown to be able to activate hydrogen. We also exemplified how to use the strategy to design experimentally more realizable molecules. The example shows promises as a hydrogen activation agent. The strategy can be used to design metal-free catalysts for direct hydro-genation. 展开更多
关键词 金属化合物 设计实验 氢化合物 分子内 活化能 量子力学计算 前线分子轨道 路易斯酸
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