Quantum chemical calculations are performed to study the reactions of OH and ozone with- out and with water to estimate whether the single water molecule can decrease the energy barrier of the OH radical reaction with...Quantum chemical calculations are performed to study the reactions of OH and ozone with- out and with water to estimate whether the single water molecule can decrease the energy barrier of the OH radical reaction with ozone. The calculated results demonstrate that the single water molecule can reduce the activated barrier of the naked OH＋Oa reaction with the value of about 4.18 kJ/mol. In addition, the transition state theory is carried out to determine whether the single water molecule could enhance the rate constant of the OH＋O3 reaction. The computed kinetic data indicate that the rate of the ozone reaction with the formed complexes between OH and water is much slower than that of the OH＋O3 reaction, whereas the rate constant of OH reaction with the formed H20---Oa complex is 2 times greater than that of the naked OH radical with ozone reaction. However, these processes in the atmosphere are not important because the reactions can not compete well with the naked reaction of OH with ozone under atmospheric condition.展开更多
Since Gibbs synthesized a general equilibrium statistical ensemble theory, many theorists have attempted to generalized the Gibbsian theory to non-equilibrium phenomena domain, however the status of the theory of non-...Since Gibbs synthesized a general equilibrium statistical ensemble theory, many theorists have attempted to generalized the Gibbsian theory to non-equilibrium phenomena domain, however the status of the theory of non-equilibrium phenomena can not be said as firm as well established as the Gibbsian ensemble theory. In this work, we present a framework for the non-equilibrium statistical ensemble formalism based on a subdynamic kinetic equation (SKE) rooted from the Brussels-Austin school and followed by some up-to-date works. The constructed key is to use a similarity transformation between Gibbsian ensembles formalism based on Liouville equation and the subdynamic ensemble formalism based on the SKE. Using this formalism, we study the spin-Boson system, as cases of weak coupling or strongly coupling, and obtain the reduced density operators for the Canonical ensembles easily.展开更多
The aim of this paper is to show how qualitative and quantitative approaches can be complementary to study internet financial communication in a thesis by papers and how grounded theory （GT） can be the link among th...The aim of this paper is to show how qualitative and quantitative approaches can be complementary to study internet financial communication in a thesis by papers and how grounded theory （GT） can be the link among the different papers of the thesis. The study context of our thesis was the unregulated markets of New York Stock Exchange （NYSE） Euronext Brussels and the problematic rose from this context： What is the voluntary effort of communication when there is no obligation of internet financial communication？ Four papers tried to answer this central question and other following research questions. To answer those research questions, several methodological approaches were used： content analysis of websites and scoring, linear regression, paired sample, and interviews. At the end of our thesis by papers, we discovered that GT was the general methodological travel among the papers： Every article had for vocation to try to answer the questions raised by the previous article.展开更多
The present paper analyses the possibilities of using modern technology and technical engineering in conservation practices. Some examples of heritage abuse are given alongside some innovative ways of presenting relic...The present paper analyses the possibilities of using modern technology and technical engineering in conservation practices. Some examples of heritage abuse are given alongside some innovative ways of presenting relics of the past to society. Methodology consists in the scrutinizing of chosen examples, selecting conclusions and a synthetic presentation of research results. The aim is proper protection of historic architectural resources through documentation and dissemination of knowledge. First part is concerned to rejection of old aesthetics values and implementing a new one on example of Brussels＇ House of the People （the largest work by Victor Horta that opened on 1899 and demolished in 1965 despite a protest of architects） and ridiculous renovation in Krynica, Poland. In second part, it presents tree examples of successful implementation of innovative techniques and technologies as the Pauline fathers realizations of renovation sacred architecture （churches, cloisters）, also valuable digital projects of the reconstruction of the vaults and realization of underground Museum in Krakow, Poland （the outstanding creation of the atmosphere of virtual historic reality by the latest audio-visual techniques）.展开更多
Severe growth abnormalities including shoot stunting, leaf blade reduction and flower bud failure of Brussels sprout were observed in Poland. The presence of phytoplasma in diseased as well as in healthy looking plant...Severe growth abnormalities including shoot stunting, leaf blade reduction and flower bud failure of Brussels sprout were observed in Poland. The presence of phytoplasma in diseased as well as in healthy looking plants, was demonstrated by nested polymerase chain reaction assay employing phytoplasma universal rRNA primer pairs-P1/P7 followed by R16F2n/R16R2. Products of PCR primed by R 16F2n/R 16R2 primer pair from naturally infected Brussels sprouts were sequenced. Comparison of the obtained 16S rDNAs revealed high nucleotide sequence identity between analyzed phytoplasma isolates （99.8%-100%）. They were also nearly identical with the sequences of other phytoplasmas isolates from sub-group 16SrI-B, and they were classified as members of ＂Candidatus Phytoplasma asteris＂.展开更多
基金This work was supported by the National Natural Science Foundation of China （No.10865003） and the Science and Technology Foundation of GuiZhou Province, China （No.[201112107）. We thank the Key Laboratory of Guizhou High Performance Computational Chemistry for computer time.
文摘Quantum chemical calculations are performed to study the reactions of OH and ozone with- out and with water to estimate whether the single water molecule can decrease the energy barrier of the OH radical reaction with ozone. The calculated results demonstrate that the single water molecule can reduce the activated barrier of the naked OH＋Oa reaction with the value of about 4.18 kJ/mol. In addition, the transition state theory is carried out to determine whether the single water molecule could enhance the rate constant of the OH＋O3 reaction. The computed kinetic data indicate that the rate of the ozone reaction with the formed complexes between OH and water is much slower than that of the OH＋O3 reaction, whereas the rate constant of OH reaction with the formed H20---Oa complex is 2 times greater than that of the naked OH radical with ozone reaction. However, these processes in the atmosphere are not important because the reactions can not compete well with the naked reaction of OH with ozone under atmospheric condition.
基金Supported by the National Natural Science Foundation of China under Grant No. 60874087the Grants from Wuhan University of Technology,in Canada by NSERC, MITACS, CIPI, MMO, and CITO
文摘Since Gibbs synthesized a general equilibrium statistical ensemble theory, many theorists have attempted to generalized the Gibbsian theory to non-equilibrium phenomena domain, however the status of the theory of non-equilibrium phenomena can not be said as firm as well established as the Gibbsian ensemble theory. In this work, we present a framework for the non-equilibrium statistical ensemble formalism based on a subdynamic kinetic equation (SKE) rooted from the Brussels-Austin school and followed by some up-to-date works. The constructed key is to use a similarity transformation between Gibbsian ensembles formalism based on Liouville equation and the subdynamic ensemble formalism based on the SKE. Using this formalism, we study the spin-Boson system, as cases of weak coupling or strongly coupling, and obtain the reduced density operators for the Canonical ensembles easily.
文摘The aim of this paper is to show how qualitative and quantitative approaches can be complementary to study internet financial communication in a thesis by papers and how grounded theory （GT） can be the link among the different papers of the thesis. The study context of our thesis was the unregulated markets of New York Stock Exchange （NYSE） Euronext Brussels and the problematic rose from this context： What is the voluntary effort of communication when there is no obligation of internet financial communication？ Four papers tried to answer this central question and other following research questions. To answer those research questions, several methodological approaches were used： content analysis of websites and scoring, linear regression, paired sample, and interviews. At the end of our thesis by papers, we discovered that GT was the general methodological travel among the papers： Every article had for vocation to try to answer the questions raised by the previous article.
文摘The present paper analyses the possibilities of using modern technology and technical engineering in conservation practices. Some examples of heritage abuse are given alongside some innovative ways of presenting relics of the past to society. Methodology consists in the scrutinizing of chosen examples, selecting conclusions and a synthetic presentation of research results. The aim is proper protection of historic architectural resources through documentation and dissemination of knowledge. First part is concerned to rejection of old aesthetics values and implementing a new one on example of Brussels＇ House of the People （the largest work by Victor Horta that opened on 1899 and demolished in 1965 despite a protest of architects） and ridiculous renovation in Krynica, Poland. In second part, it presents tree examples of successful implementation of innovative techniques and technologies as the Pauline fathers realizations of renovation sacred architecture （churches, cloisters）, also valuable digital projects of the reconstruction of the vaults and realization of underground Museum in Krakow, Poland （the outstanding creation of the atmosphere of virtual historic reality by the latest audio-visual techniques）.
文摘Severe growth abnormalities including shoot stunting, leaf blade reduction and flower bud failure of Brussels sprout were observed in Poland. The presence of phytoplasma in diseased as well as in healthy looking plants, was demonstrated by nested polymerase chain reaction assay employing phytoplasma universal rRNA primer pairs-P1/P7 followed by R16F2n/R16R2. Products of PCR primed by R 16F2n/R 16R2 primer pair from naturally infected Brussels sprouts were sequenced. Comparison of the obtained 16S rDNAs revealed high nucleotide sequence identity between analyzed phytoplasma isolates （99.8%-100%）. They were also nearly identical with the sequences of other phytoplasmas isolates from sub-group 16SrI-B, and they were classified as members of ＂Candidatus Phytoplasma asteris＂.
