Cobalt-doped gold clusters AunCo （n=1-7） are systematically investigated for the possible stable geometrical configurations and relative stabilities of the lowest-lying isomers using density-functional theory at B3L...Cobalt-doped gold clusters AunCo （n=1-7） are systematically investigated for the possible stable geometrical configurations and relative stabilities of the lowest-lying isomers using density-functional theory at B3LYP/LanL2DZ level. Several low-lying isomers were determined, and many of them are in electronic configurations with a high spin multiplicity. The results indicate that the ground-state AunCo（n=1-7） clusters adopt a planar structure except for n=7. The stability trend of the AunCo （n=1-7） clusters shows that the Au2Co clusters are magic cluster with high stability.展开更多
We take the contribution of all valence electrons into consideration and propose a new valence electrons equilibration method to calculate the equalized electronegativity including molecular electronegativity, group e...We take the contribution of all valence electrons into consideration and propose a new valence electrons equilibration method to calculate the equalized electronegativity including molecular electronegativity, group electronegativity, and atomic charge. The ionization potential of alkanes and mono-substituted alkanes, the chemical shift of 1H NMR, and the gas phase proton affinity of aliphatic amines, alcohols, and ethers were estimated. All the expressions have good correlations. Moreover, the Sanderson method and Bratsch method were modified on the basis of the valence electrons equilibration theory. The modified Sanderson method and modified Bratsch method are more effective than their original methods to estimate these properties.展开更多
Octenyl succinic anhydride （OSA） modified early Indica rice starch was prepared in aqueous slurry systems using response surface methodology. The paste properties of the OSA starch were also investigated. Results in...Octenyl succinic anhydride （OSA） modified early Indica rice starch was prepared in aqueous slurry systems using response surface methodology. The paste properties of the OSA starch were also investigated. Results indicated that the suitable parameters for the preparation of OSA starch from early Indica rice starch were as follows： reaction period 4 h, reaction temperature 33.4℃, pH of reaction system 8.4, concentration of starch slurry 36.8% （in proportion to water, w/w）, amount of OSA 3% （in proportion to starch, w/w）. The degree of substitution was 0.0188 and the reaction efficiency was 81.0%. The results of paste properties showed that with increased OSA modification, the starch derivatives had higher paste clarity, decreased retrogradation and better freeze-thaw stability.展开更多
A new estimation method was proposed by combining the corresponding state principle with the group contribution method through introducing the concept of assumed-critical properties. Combining it with the Reidel equat...A new estimation method was proposed by combining the corresponding state principle with the group contribution method through introducing the concept of assumed-critical properties. Combining it with the Reidel equation, a new acentric factor correlation equation (CSGC-Reidel) was developed. Contribution values of 70 groups were obtained by correlating acentric factor data of 228 organic compounds of 14 type substances including saturated hydrocarbons, unsaturated hydrocarbons, cyclanes, aromatics, oxygen compounds, nitrogen compounds,halohydrocarbons, etc. The average error of acentric factor is 3.52% between the literature data and the predicated with the new estimation method.展开更多
Dense arrays of Fe-Cr alloy clusters with different Cr ratios were fabricated by gas-phase cluster beam deposition. The complex multiphase structure and various coupling effects in the cluster arrays were studied. A l...Dense arrays of Fe-Cr alloy clusters with different Cr ratios were fabricated by gas-phase cluster beam deposition. The complex multiphase structure and various coupling effects in the cluster arrays were studied. A lattice mismatched tetragonal-like morphology of the Fe-Cr alloy cluster was observed at large Cr ratio. An exchange bias effect was observed and was shown to be dependent on the proportion of the Cr components in the alloy. With the increase of the Cr composition, the exchange bias field became smaller and stronger dipolar interactions between the clusters developed. Residual coercivity and magnetization, which were more remarkable in the tetragonal-like clusters, were observed above the ferromagnetic-superparamagnetic transition temperature. The experimental results of the coercive field and the bias field at different temperatures demonstrated that the tetragonal-like clusters had better thermal stability and greater anisotropy.展开更多
The flash points of organic compounds were estimated using a hybrid method that includes a simple group contribution method (GCM) implemented in an artificial neural network (ANN) with particle swarm optimization (PSO...The flash points of organic compounds were estimated using a hybrid method that includes a simple group contribution method (GCM) implemented in an artificial neural network (ANN) with particle swarm optimization (PSO). Different topologies of a multilayer neural network were studied and the optimum architecture was determined. Property data of 350 compounds were used for training the network. To discriminate different substances the molecular structures defined by the concept of the classical group contribution method were given as input variables. The capabilities of the network were tested with 155 substances not considered in the training step. The study shows that the proposed GCM+ANN+PSO method represent an excellent alternative for the estimation of flash points of organic compounds with acceptable accuracy (AARD = 1.8%; AAE = 6.2 K).展开更多
This paper presnts a team-oriented programming method specially designed for multiple mobile robots. The team, which is a typical constitution structure in multi-robot system, forms after the user selects suitable rob...This paper presnts a team-oriented programming method specially designed for multiple mobile robots. The team, which is a typical constitution structure in multi-robot system, forms after the user selects suitable robots, assigns their roles and sets related parameters. Team behavior module are introduced for the team-level behavior description and the temporal chain of these modules, realized by finite state automata, partitions the team tasks into discrete operating states and triggers. A graphical programming tool is designed for the team task description with visual diagrams. The real robots experiment of adaptive formation shows the system＇s usability and effectivity.展开更多
In China, College English classes are usually large. Nowadays, most College English language teachers are confronting the challenge of teaching larger classes than before. This paper analyzes some problems caused by l...In China, College English classes are usually large. Nowadays, most College English language teachers are confronting the challenge of teaching larger classes than before. This paper analyzes some problems caused by large English classes and suggests some teaching strategies to deal with such problems.展开更多
Gas drainage in Jincheng Mining Group Co.,Ltd.was introduced briefly and theimportance of gas drainage in gas control was analyzed.Combined with coal-bed gas occurrenceand gas emission,the double system of gas drainag...Gas drainage in Jincheng Mining Group Co.,Ltd.was introduced briefly and theimportance of gas drainage in gas control was analyzed.Combined with coal-bed gas occurrenceand gas emission,the double system of gas drainage was optimized and a progressivegas drainage model was experimented on.For guaranteed drainage,excavationand mining and realization of safety production and reasonable exploitation of gas in coalseams,many drainage methods were adopted to solve the gas problem of the workingface.展开更多
This study sought to answer the following question： The empirical model in which strategic planning affects innovation and competitive advantage and how does this influence corporate performance perceived by the CEOs...This study sought to answer the following question： The empirical model in which strategic planning affects innovation and competitive advantage and how does this influence corporate performance perceived by the CEOs of companies in Monterrey, Nuevo LEon, does this have an acceptable outcome in regards of the theoretical fit model？ This study was empirical, quantitative, descriptive, exploratory, explicative and transversal in nature. The studied population consisted of executives who attended the training sessions of the Institute of Public Accountants of Nuevo Le6n （IPANL）. For this study, a sample of 134 executives was selected by convenience sampling. For the data collection, an instrument of 94 indicators was elaborated and the indicators within the study were the following： 31 indicators for strategic planning, 15 indicators for innovation, 24 indicators for competitive advantage, and 24 indicators for corporate performance. The null hypotheses were analyzed using multivariate analysis denominated as a structural equation model, utilizing maximum plausibility methods. According to the selected structural equation indexes, the obtained results show that the proposed model had an acceptable goodness of fit index.展开更多
Group discussions are very important in oral English classes. It maximizes students＇ speaking time in a specified-time period. Group discussions have a strong positive effect on the atmosphere in the classroom and th...Group discussions are very important in oral English classes. It maximizes students＇ speaking time in a specified-time period. Group discussions have a strong positive effect on the atmosphere in the classroom and the behaviors of the students as they can get more ideas from their friends, and sometimes students don＇t even understand the topic for discussion but by interacting with others they can understand the topic. Particularly it is a good warm-up in conversational classes. The most important reason for using group discussions before speaking tasks is to reduce students＇ nervousness of making mistakes. And this encourages students to be more active in speaking class.展开更多
Outward Bound in colleges have far-reaching value and significance. Outward Bound activities in favor of school to further implement the national education policy, to promote the implementation of the Sunshine Sports ...Outward Bound in colleges have far-reaching value and significance. Outward Bound activities in favor of school to further implement the national education policy, to promote the implementation of the Sunshine Sports to promote campus spiritual civilization, to broaden the space of Physical Education; same time it is also beneficial to develop students ＇interest in sport, develop students＇ teamwork, to promote the physical and mental health of students, improve students＇ social adaptability. To expand the training to maximize the function of colleges and universities, but also in the education sector especially sports workers continue to work hard, make a greater contribution to the development of universities and students.展开更多
Rhodium(III)-catalyzed coupling between ketoximes and alkynes via C–H activation and annulation typically followed the[4+2]selectivity to afford isoquinolines.By designing alkynes bearing a highly electron-withdrawin...Rhodium(III)-catalyzed coupling between ketoximes and alkynes via C–H activation and annulation typically followed the[4+2]selectivity to afford isoquinolines.By designing alkynes bearing a highly electron-withdrawing group and under substrate control,we have successfully switched the selectivity of the coupling between oximes and alkynes to the alternative[3+2]annulation,leading to the efficient synthesis of indenamines.This process features good regioselectivity for both substrates,high efficiency,broad substrate scope,and excellent functional group tolerance.展开更多
文摘Cobalt-doped gold clusters AunCo （n=1-7） are systematically investigated for the possible stable geometrical configurations and relative stabilities of the lowest-lying isomers using density-functional theory at B3LYP/LanL2DZ level. Several low-lying isomers were determined, and many of them are in electronic configurations with a high spin multiplicity. The results indicate that the ground-state AunCo（n=1-7） clusters adopt a planar structure except for n=7. The stability trend of the AunCo （n=1-7） clusters shows that the Au2Co clusters are magic cluster with high stability.
文摘We take the contribution of all valence electrons into consideration and propose a new valence electrons equilibration method to calculate the equalized electronegativity including molecular electronegativity, group electronegativity, and atomic charge. The ionization potential of alkanes and mono-substituted alkanes, the chemical shift of 1H NMR, and the gas phase proton affinity of aliphatic amines, alcohols, and ethers were estimated. All the expressions have good correlations. Moreover, the Sanderson method and Bratsch method were modified on the basis of the valence electrons equilibration theory. The modified Sanderson method and modified Bratsch method are more effective than their original methods to estimate these properties.
基金Project (No. 2003C12009) supported by the Science and TechnologyMinistry of Zhejiang Province, China
文摘Octenyl succinic anhydride （OSA） modified early Indica rice starch was prepared in aqueous slurry systems using response surface methodology. The paste properties of the OSA starch were also investigated. Results indicated that the suitable parameters for the preparation of OSA starch from early Indica rice starch were as follows： reaction period 4 h, reaction temperature 33.4℃, pH of reaction system 8.4, concentration of starch slurry 36.8% （in proportion to water, w/w）, amount of OSA 3% （in proportion to starch, w/w）. The degree of substitution was 0.0188 and the reaction efficiency was 81.0%. The results of paste properties showed that with increased OSA modification, the starch derivatives had higher paste clarity, decreased retrogradation and better freeze-thaw stability.
文摘A new estimation method was proposed by combining the corresponding state principle with the group contribution method through introducing the concept of assumed-critical properties. Combining it with the Reidel equation, a new acentric factor correlation equation (CSGC-Reidel) was developed. Contribution values of 70 groups were obtained by correlating acentric factor data of 228 organic compounds of 14 type substances including saturated hydrocarbons, unsaturated hydrocarbons, cyclanes, aromatics, oxygen compounds, nitrogen compounds,halohydrocarbons, etc. The average error of acentric factor is 3.52% between the literature data and the predicated with the new estimation method.
基金supported by the National Natural Science Foundation of China(No.11627806 and No.61301015)the Priority Academic Programme Development of Jiangsu Higher Education Institutions
文摘Dense arrays of Fe-Cr alloy clusters with different Cr ratios were fabricated by gas-phase cluster beam deposition. The complex multiphase structure and various coupling effects in the cluster arrays were studied. A lattice mismatched tetragonal-like morphology of the Fe-Cr alloy cluster was observed at large Cr ratio. An exchange bias effect was observed and was shown to be dependent on the proportion of the Cr components in the alloy. With the increase of the Cr composition, the exchange bias field became smaller and stronger dipolar interactions between the clusters developed. Residual coercivity and magnetization, which were more remarkable in the tetragonal-like clusters, were observed above the ferromagnetic-superparamagnetic transition temperature. The experimental results of the coercive field and the bias field at different temperatures demonstrated that the tetragonal-like clusters had better thermal stability and greater anisotropy.
文摘The flash points of organic compounds were estimated using a hybrid method that includes a simple group contribution method (GCM) implemented in an artificial neural network (ANN) with particle swarm optimization (PSO). Different topologies of a multilayer neural network were studied and the optimum architecture was determined. Property data of 350 compounds were used for training the network. To discriminate different substances the molecular structures defined by the concept of the classical group contribution method were given as input variables. The capabilities of the network were tested with 155 substances not considered in the training step. The study shows that the proposed GCM+ANN+PSO method represent an excellent alternative for the estimation of flash points of organic compounds with acceptable accuracy (AARD = 1.8%; AAE = 6.2 K).
基金国家高技术研究发展计划(863计划)，the National Natural Science Foundation of China
文摘This paper presnts a team-oriented programming method specially designed for multiple mobile robots. The team, which is a typical constitution structure in multi-robot system, forms after the user selects suitable robots, assigns their roles and sets related parameters. Team behavior module are introduced for the team-level behavior description and the temporal chain of these modules, realized by finite state automata, partitions the team tasks into discrete operating states and triggers. A graphical programming tool is designed for the team task description with visual diagrams. The real robots experiment of adaptive formation shows the system＇s usability and effectivity.
文摘In China, College English classes are usually large. Nowadays, most College English language teachers are confronting the challenge of teaching larger classes than before. This paper analyzes some problems caused by large English classes and suggests some teaching strategies to deal with such problems.
文摘Gas drainage in Jincheng Mining Group Co.,Ltd.was introduced briefly and theimportance of gas drainage in gas control was analyzed.Combined with coal-bed gas occurrenceand gas emission,the double system of gas drainage was optimized and a progressivegas drainage model was experimented on.For guaranteed drainage,excavationand mining and realization of safety production and reasonable exploitation of gas in coalseams,many drainage methods were adopted to solve the gas problem of the workingface.
文摘This study sought to answer the following question： The empirical model in which strategic planning affects innovation and competitive advantage and how does this influence corporate performance perceived by the CEOs of companies in Monterrey, Nuevo LEon, does this have an acceptable outcome in regards of the theoretical fit model？ This study was empirical, quantitative, descriptive, exploratory, explicative and transversal in nature. The studied population consisted of executives who attended the training sessions of the Institute of Public Accountants of Nuevo Le6n （IPANL）. For this study, a sample of 134 executives was selected by convenience sampling. For the data collection, an instrument of 94 indicators was elaborated and the indicators within the study were the following： 31 indicators for strategic planning, 15 indicators for innovation, 24 indicators for competitive advantage, and 24 indicators for corporate performance. The null hypotheses were analyzed using multivariate analysis denominated as a structural equation model, utilizing maximum plausibility methods. According to the selected structural equation indexes, the obtained results show that the proposed model had an acceptable goodness of fit index.
文摘Group discussions are very important in oral English classes. It maximizes students＇ speaking time in a specified-time period. Group discussions have a strong positive effect on the atmosphere in the classroom and the behaviors of the students as they can get more ideas from their friends, and sometimes students don＇t even understand the topic for discussion but by interacting with others they can understand the topic. Particularly it is a good warm-up in conversational classes. The most important reason for using group discussions before speaking tasks is to reduce students＇ nervousness of making mistakes. And this encourages students to be more active in speaking class.
文摘Outward Bound in colleges have far-reaching value and significance. Outward Bound activities in favor of school to further implement the national education policy, to promote the implementation of the Sunshine Sports to promote campus spiritual civilization, to broaden the space of Physical Education; same time it is also beneficial to develop students ＇interest in sport, develop students＇ teamwork, to promote the physical and mental health of students, improve students＇ social adaptability. To expand the training to maximize the function of colleges and universities, but also in the education sector especially sports workers continue to work hard, make a greater contribution to the development of universities and students.
基金supported by the Dalian Institute of Chemical Physics,Chinese Academy of Sciencesthe National Natural Science Foundation of China(21472186,21272231)
文摘Rhodium(III)-catalyzed coupling between ketoximes and alkynes via C–H activation and annulation typically followed the[4+2]selectivity to afford isoquinolines.By designing alkynes bearing a highly electron-withdrawing group and under substrate control,we have successfully switched the selectivity of the coupling between oximes and alkynes to the alternative[3+2]annulation,leading to the efficient synthesis of indenamines.This process features good regioselectivity for both substrates,high efficiency,broad substrate scope,and excellent functional group tolerance.
