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On the Sanskruti Index of Circumcoronene Series of Benzenoid
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作者 Yingying Gao Mohammad Reza Farahani +1 位作者 Muhammad Shoaib Sardar Sohail Zafar 《Applied Mathematics》 2017年第4期520-524,共5页
Let G = (V;E) be a simple connected graph. The sets of vertices and edges of G are denoted by V = V(G) and E = E(G), respectively. In such a simple molecular graph, vertices represent atoms and edges represent bonds. ... Let G = (V;E) be a simple connected graph. The sets of vertices and edges of G are denoted by V = V(G) and E = E(G), respectively. In such a simple molecular graph, vertices represent atoms and edges represent bonds. The Sanskruti index S(G) is a topological index was defined as where Su is the summation of degrees of all neighbors of vertex u in G. The goal of this paper is to compute the Sanskruti index for circumcoronene series of benzenoid. 展开更多
关键词 Sanskruti INDEX MOLECULAR GRAPH Circumcoronene SERIES of benzenoid
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SOME TOPOLOGICAL PROPERTIES OF BENZENOID S_n,T_n-ISOMERS WITH n-RADICAL CONNECTION
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作者 ZHANGFUJI CHENZHIBO 《Applied Mathematics(A Journal of Chinese Universities)》 SCIE CSCD 1995年第2期207-214,共8页
We consider a series of benzenoid isomers obtained by attaching fragments to an mradical. Some of their topological properties, such as the number of Kekule patterns and the maximum number of aromatic π-sextets are e... We consider a series of benzenoid isomers obtained by attaching fragments to an mradical. Some of their topological properties, such as the number of Kekule patterns and the maximum number of aromatic π-sextets are established. 展开更多
关键词 benzenoid System ISOMER topological properties.
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The First Eccentric Zagreb Index of Linear Polycene Parallelogram of Benzenoid
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作者 Mehdi Alaeiyan Mohammad Reza Farahani +1 位作者 Muhammad Kamran Jamil M. R. Rajesh Kanna 《Open Journal of Applied Sciences》 2016年第5期315-318,共4页
Let G = (V,E) be a graph, where V(G) is a non-empty set of vertices and E(G) is a set of edges, e = uv∈E(G), d(u) is degree of vertex u. Then the first Zagreb polynomial and the first Zagreb index Zg<sub>1</... Let G = (V,E) be a graph, where V(G) is a non-empty set of vertices and E(G) is a set of edges, e = uv∈E(G), d(u) is degree of vertex u. Then the first Zagreb polynomial and the first Zagreb index Zg<sub>1</sub>(G,x) and Zg<sub>1</sub>(G) of the graph G are defined as Σ<sub>uv∈E(G)</sub>x<sup>(d<sub>u</sub>+d<sub>v</sub>)</sup> and Σ<sub>e=uv∈E(G)</sub>(d<sub>u</sub>+d<sub>v</sub>) respectively. Recently Ghorbani and Hosseinzadeh introduced the first Eccentric Zagreb index as Zg<sub>1</sub>*</sup>=Σ<sub>uv∈E(G)</sub>(ecc(v)+ecc(u)), that ecc(u) is the largest distance between u and any other vertex v of G. In this paper, we compute this new index (the first Eccentric Zagreb index or third Zagreb index) of an infinite family of linear Polycene parallelogram of benzenoid. 展开更多
关键词 Molecular Graph Linear Polycene Parallelogram of benzenoid Zagreb Topological Index Eccentricity Connectivity Index Cut Method
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FORCING BONDS OF A BENZENOID SYSTEM 被引量:1
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作者 张福基 李学良 《Acta Mathematicae Applicatae Sinica》 SCIE CSCD 1996年第2期209-211,21+213-215,共7页
For a Kekulean benzenoid system, we can define the fixed single bonds, fixed double bonds and forcing bounds. The first and second types of bonds can be recognized by efficient algorithms.In this paper, we give an eff... For a Kekulean benzenoid system, we can define the fixed single bonds, fixed double bonds and forcing bounds. The first and second types of bonds can be recognized by efficient algorithms.In this paper, we give an efficient algorithm to recognize the forcing bonds of a benzenoid system.For a cata-condensed benzenoid system we completely determine its forcing bonds. Furthermore,by Polya's theorem we enumerate all cat-condensed benzenoid Systems with forcing bonds. 展开更多
关键词 benzenoid system forcing bond ALGORITHM
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Estimation of the Resonance Energy of Benzenoid Hydrocarbon
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作者 张福基 刘育亭 《Chinese Science Bulletin》 SCIE EI CAS 1993年第24期2040-2043,共4页
In order to study the stability and estimate the resonance energy of benzenoid systems, many chemists agree that some kinds of Kekulé structures are more important than the others. Dewar and Longuet-Higgins, Clar... In order to study the stability and estimate the resonance energy of benzenoid systems, many chemists agree that some kinds of Kekulé structures are more important than the others. Dewar and Longuet-Higgins, Clar, Randi, Randiand Klein gave different kinds of weights to Kekul structures of benzenoid hydrocarbon, respectively. Using their own concept, several approaches are proposed to calculate the resonance energy. In this note we propose an invafiant for benzenoid hydrocarbon, by which 展开更多
关键词 benzenoid HYDROCARBON RESONANCE energy.
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THE CLAR FORMULAS OF REGULAR t-TIER STRIP BENZENOID SYSTEMS
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作者 ZHANG Heping(Department of Mathematics,Lanzhou University,Lanzhou 730000,China) 《Systems Science and Mathematical Sciences》 SCIE EI CSCD 1995年第4期327-337,共11页
THECLARFORMULASOFREGULARt-TIERSTRIPBENZENOIDSYSTEMSTHECLARFORMULASOFREGULARt-TIERSTRIPBENZENOIDSYSTEMS¥ZHANG... THECLARFORMULASOFREGULARt-TIERSTRIPBENZENOIDSYSTEMSTHECLARFORMULASOFREGULARt-TIERSTRIPBENZENOIDSYSTEMS¥ZHANGHeping(Department... 展开更多
关键词 benzenoid system PERFECT matching Clar formula.
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RECOGNITION OF ESSENTIALLY DISCONNECTED BENZENOIDS
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作者 陈荣斯 S.J.CYVIN B.N.CYVIN 《Acta Mathematicae Applicatae Sinica》 SCIE CSCD 1992年第4期377-382,共6页
A benzenoid, or a benzenoid system, is a connected planar graph whose every interiorface is a regular hexagon. A peak (resp. valley) of a benzenoid is a vertex which lies above(resp. below) all its first neighbors. A ... A benzenoid, or a benzenoid system, is a connected planar graph whose every interiorface is a regular hexagon. A peak (resp. valley) of a benzenoid is a vertex which lies above(resp. below) all its first neighbors. A Kekulean benzenoid is a benzenoid with at least oneperfect matching. An essentially disconnected benzenoid is a Kekulean benzenoid which hassome fixed bonds. Essentially disconnected benzenoids have proved to be very useful incertain enumeration techniques for Derfect matching. Hence the problem of recognizing 展开更多
关键词 RECOGNITION OF ESSENTIALLY DISCONNECTED benzenoidS
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Comparative metabolome and transcriptome revealed the CpODO1 transcription factor controlling the varied floral scent traits of three wintersweet cultivars
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作者 Yubing Yong Qi Zhou +4 位作者 Xin Ding Jianming Cheng Chengcheng Zhou Zhiguo Shen Lin Zhang 《Horticultural Plant Journal》 2025年第4期1669-1683,共15页
Wintersweet(Chimonanthus praecox),a well-known fragrant flowering shrub,is extensively planted for ornamental purpose and production of floral essential oil.Although the tepal color of wintersweet varieties exhibits t... Wintersweet(Chimonanthus praecox),a well-known fragrant flowering shrub,is extensively planted for ornamental purpose and production of floral essential oil.Although the tepal color of wintersweet varieties exhibits the most remarkable diversity,variations in the floral scent traits are also noticeable across different cultivars.In this study,the floral volatile organic compounds(VOCs)in three wintersweet cultivars,‘Yanlingsuxin’,‘Yuxiang’,and‘Hongyun’were detected via GC-MS coupled with OAV.The distinct floral aromas of the three cultivars were primarily attributed to benzyl alcohol(abundant in‘Yuxiang’),linalool(abundant in‘Yanlingsuxin’),(-)-γ-cadinene and eugenol(abundant in‘Hongyun’).Integrated analyses of metabolome and transcriptome showed that an R2R3-MYB transcription factor gene,CpODO1,potentially have a crucial regulatory function in controlling the production of multiple aroma compounds.Overexpression of CpODO1 can enhance the production of benzyl alcohol in transgenic tobacco flowers.Analysis of DAP-seq data,EMSA and dual-luciferase assay revealed that CpODO1 predominantly regulate the expression of CpCYP71,a cytochrome P450 gene encoding a key enzyme in the production of benzyl alcohol,and the transcriptional regulation of CpODO1 is driven by CpEOBII.The identification of polymorphisms in the MYB binding cis-motifs of CpCYP71 and CpODO1 promoters revealed the regulatory mechanism underlying the varied synthesis of benzyl alcohol in three wintersweet cultivars.This study provides new anchor points for floral scent quality improvement breeding of wintersweet,and the profusion of wintersweet germplasm can serve as a material basis for developing various aroma products. 展开更多
关键词 Chimonanthus praecox Floral volatile Terpenoids biosynthesis benzenoids/phenylpropanoids biosynthesis CpEOBII-CpODO1-CpCYP71 regulation module
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计算共振能的一个新的经验方法 被引量:1
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作者 袁履冰 丁勇 《化学研究与应用》 CAS CSCD 1991年第4期19-27,共9页
本文提出了一个很简单的计算共振能(RE)的方法。对苯系芳烃,可用下式计算: RE(cV)=0.215(0.89N_0+0.75N_1+0.36N_2)式中,N_0是顶点度为3的碳原子数,N_1是顶点度为2但被两个顶点度为2的原子所连结的碳原子数,N_2是顶点度为2但被一个顶点... 本文提出了一个很简单的计算共振能(RE)的方法。对苯系芳烃,可用下式计算: RE(cV)=0.215(0.89N_0+0.75N_1+0.36N_2)式中,N_0是顶点度为3的碳原子数,N_1是顶点度为2但被两个顶点度为2的原子所连结的碳原子数,N_2是顶点度为2但被一个顶点度为2和另一个顶点度为3的原子所连结的碳原子数。此或略加修正也可用于计算含四元环共轭烃、半苯型烃和奥系化合物等共轭烃的共振能。 展开更多
关键词 共振能 苯系芳烃 共轭烃 半苯型烃 奥系化合物
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The chromosome-scale genome assembly of Jasminum sambac var. unifoliatum provides insights into the formation of floral fragrance 被引量:1
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作者 Chengzhe Zhou Chen Zhu +8 位作者 Caiyun Tian Siyi Xie Kai Xu Linjie Huang Shengjing Wen Cheng Zhang Zhongxiong Lai Yuling Lin Yuqiong Guo 《Horticultural Plant Journal》 SCIE CAS CSCD 2023年第6期1131-1148,共18页
Jasmine [Jasminum sambac(L.) Ait.], a tropical and subtropical plant emits a sweet, heady fragrance during flower opening. However, the molecular mechanisms underlying this phenomenon remain largely unknown. In the pr... Jasmine [Jasminum sambac(L.) Ait.], a tropical and subtropical plant emits a sweet, heady fragrance during flower opening. However, the molecular mechanisms underlying this phenomenon remain largely unknown. In the present study, integrated Illumina sequencing, Pacbio sequencing, and high-throughput chromatin conformation capture(Hi-C) scaffolding was used to generate a 495.60 Mb genome assembly of J.sambac var. unifoliatum cultivar ‘Fuzhou Single-petal’(JSU-FSP), with contig N50 of 16.88 Mb;96.23% of the assembly was assigned to 13 pseudochromosomes. The genome harbors 30 989 protein-coding genes, and 49.47% of the assembled sequences are repetitive sequences. The analysis of duplication modes showed that 51% of genes were duplicated through dispersed duplication, and expanded gene families are mainly involved in photosynthesis, which may be responsible for the light-loving characteristic specific to jasmine. Transcriptome analysis revealed that at least 35 structural genes involved in the biosynthesis of volatile terpenes(VTs), volatile phenylpropanoid/benzenoids(VPBs),fatty acid-derived volatiles(FADVs), and indole were highly expressed in the flower-opening stage, both preharvest and postharvest, and are proposed to be important in endowing flower aroma. Additionally, at least 28 heat shock protein(HSP) and 11 β-glucosidase(BGLU) genes may be involved in the formation of floral fragrance. These findings provide insights into the formation of the floral fragrance of jasmine and will promote germplasm utilization for breeding improved jasmine varieties. 展开更多
关键词 Jasmine Chromosome-scale genome Volatile terpenes Volatile phenylpropanoid/benzenoids
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苯型芳烃周期表 被引量:1
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作者 刘秉兰 《有机化学》 SCIE CAS CSCD 北大核心 1994年第2期220-224,共5页
按年代次序,简要回顾各国学者对分子周期系的研究概况。介绍和讨论Dias,J.R.的多环苯型芳烃周期表的结构和应用。
关键词 苯型芳烃 周期表 反应活性 相关性
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苯环型化合物定量二维手性程度的研究
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作者 张庆友 龙海林 +3 位作者 周艳梅 郝军峰 许禄 冷吉燕 《化学学报》 SCIE CAS CSCD 北大核心 2011年第3期311-315,共5页
基于权原子和,提出了镶嵌在二维空间的苯环型化合物的手性程度,其中权原子和为与原子间的距离有关的原子不对称环境描述.在描述化合物的手性时,并没有采用简单的标记-手性或非手性,而是采用定量的方式来表征化合物的手性程度.定量手性... 基于权原子和,提出了镶嵌在二维空间的苯环型化合物的手性程度,其中权原子和为与原子间的距离有关的原子不对称环境描述.在描述化合物的手性时,并没有采用简单的标记-手性或非手性,而是采用定量的方式来表征化合物的手性程度.定量手性程度能够区分对映体,并且一对对映体的手性程度为相反数.手性程度不仅仅可以采用单值,还可以采用多维向量来表示.此外,还将手性程度推广到三维正烷烃的旋转构象异构体描述,即首先将正烷烃的旋转异构体转化为苯环型化合物,然后采用手性程度描述其三维构象. 展开更多
关键词 苯环型化合物 二进制编码 权原子和 手性程度 构象异构体
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二维分子的原子不对称性研究
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作者 张庆友 周艳梅 +3 位作者 龙海林 郝军峰 刘绣华 许禄 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2010年第8期1620-1625,共6页
基于分子形状的二进制编码提出了权原子和法来描述原子的不对称环境,其中权原子和是以相反的方向环绕分子所得原子不对称环境的量度,分子中一个原子的权原子和与其镜像分子中相应原子的权原子和的大小相等,符号相反.权原子和不仅适用于... 基于分子形状的二进制编码提出了权原子和法来描述原子的不对称环境,其中权原子和是以相反的方向环绕分子所得原子不对称环境的量度,分子中一个原子的权原子和与其镜像分子中相应原子的权原子和的大小相等,符号相反.权原子和不仅适用于手性分子,还能描述非手性分子中原子的不对称性.与Randic′提出的原子和进行比较表明,权原子和比原子和具有更好地区分能力,因此,权原子和能够更好地表征原子的不对称性. 展开更多
关键词 苯环型化合物 二维分子形状 原子不对称性 权原子和
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二到七环多苯稠合物的三阶非线性光学效应的理论研究
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作者 程文旦 吴东升 +1 位作者 张浩 陈久桐 《化学学报》 SCIE CAS CSCD 北大核心 2001年第6期901-905,共5页
利用含组态相互作用的INDO-SDCI和态求和(SOS)方法,计算了二到七环的稠合多苯化合物的三种不同物理过程的频率相关的三阶非线性光学系数.讨论了不同光物理过程的色散行为及π电子离域程度对非线性光学效应的影响,同时给出计算简并四波混... 利用含组态相互作用的INDO-SDCI和态求和(SOS)方法,计算了二到七环的稠合多苯化合物的三种不同物理过程的频率相关的三阶非线性光学系数.讨论了不同光物理过程的色散行为及π电子离域程度对非线性光学效应的影响,同时给出计算简并四波混合(DFWM)的非线性光学系数的具体表达式.计算结果表明,三阶非线性光学系数随着环沿一维方向扩展而急剧增加,π-π*电荷转移对多苯稠合物的三阶非线性极化率起主要贡献. 展开更多
关键词 多苯稠合物 三阶NLO参数 态求和方法 三阶非线性光学效应 三阶非线性极化率
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稠环苯型芳烃分子周期表
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作者 王进贤 杜正银 《西北师范大学学报(自然科学版)》 CAS 1996年第3期82-87,共6页
介绍了J.R.Dias的多环苯型芳烃周期系的速归原理,在此基础上建立了一个完整的稠环苯型芳烃分子周期表,并讨论了该表的应用.
关键词 稠环苯型 芳烃 分子周期表 分子结构 反应活性
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多环芳烃结构与命名及对称性分类——正规苯型稠环芳烃
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作者 康继军 袁晓燕 +3 位作者 曹晨忠 谌其亭 黄莺 李志良 《长沙大学学报》 1997年第4期28-33,共6页
系统研究了多环芳烃的结构与命名及其对称性分类,对正规苯型稠环芳烃的结构与命名进行了研究,提出了一种新的分界命名法,给出了产生正规苯型稠环芳烃的两个定理,并用微机获得了它们的结构生成,系统命名,结构计数和对称性分类,另外还研... 系统研究了多环芳烃的结构与命名及其对称性分类,对正规苯型稠环芳烃的结构与命名进行了研究,提出了一种新的分界命名法,给出了产生正规苯型稠环芳烃的两个定理,并用微机获得了它们的结构生成,系统命名,结构计数和对称性分类,另外还研究了关于正规苯型稠环芳烃和其它相关分子极性的某些问题。 展开更多
关键词 多环芳烃 正规苯型 稠环芳烃 命名 对称性分类
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一类苯系统的Clar覆盖多项式
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作者 杨富利 张月莲 《湖南文理学院学报(自然科学版)》 CAS 2008年第1期22-23,共2页
给出了一类苯系统的Clar覆盖多项式的表达式,并由此给出了它们的Clar和Kekule结构的数目.
关键词 笨系统 Clar覆盖多项式 Clar和Kekule结构
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N,N-双(2-羧基苯基)-丙二酰胺的合成与表征 被引量:1
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作者 刘惠茹 郑碧军 《惠州大学学报》 2001年第4期44-47,共4页
在二甲苯介质中用邻氨基苯甲酸和丙二酸二乙酯合成了N ,N -双 (2 -羧基苯基 ) -丙二酰胺 ,用元素分析、红外光谱、核磁共振谱等进行表征、确认 ,产率 78 30 % ,熔点 2 5 9 2°C .
关键词 N N'-双(2-羧基苯基)-丙二酰胺 酰胺化合物 配体 合成 表征 元素分析
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Clar覆盖多项式的直接计算
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作者 林成德 范桂清 《厦门大学学报(自然科学版)》 CAS CSCD 北大核心 1998年第3期340-345,共6页
介绍一种利用计算机直接计算Clar覆盖多项式的方法.这个方法使用图形界面输入要求解的六角系统,并引进适当的算法,最终直接输出相应的Clar覆盖多项式。
关键词 苯族 碳氢化合物 Clar覆盖多项式 图论
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