SCF-MO-AM1 calculations have been per formed on 10 silacyclohex-ane-based liquid crystal compounds by energy gradient completed optimization. The stable configurations, electronic structures, heats of formation, dipol...SCF-MO-AM1 calculations have been per formed on 10 silacyclohex-ane-based liquid crystal compounds by energy gradient completed optimization. The stable configurations, electronic structures, heats of formation, dipole moments and ionization potentials of titled comPounds are first reported. The calculated results are.discussed relating to the classical organic electronic theory.展开更多
AM 1 and PM 3 SCF MO calculation have been performed to obtain molecular geometries of 7 1 isopropyl silacyclohexane based liquid crystal compounds biphenyl ethane series by energy gradient completed optimization.For ...AM 1 and PM 3 SCF MO calculation have been performed to obtain molecular geometries of 7 1 isopropyl silacyclohexane based liquid crystal compounds biphenyl ethane series by energy gradient completed optimization.For all optimized configurations,there is no imaginary frequency in vibrational analysis.The stable configuration,electronic structure,and some molecular properties of title compounds(heat of formation,dipole moment and energy level of frontal molecule orbital,etc) are frist reported.The calculated results are fully discussed with rspect to the organic structure theory.展开更多
Efficient real time data exchange over the Internet plays a crucial role in the successful application of web-based systems. In this paper, a data transfer mechanism over the Internet is proposed for real time web bas...Efficient real time data exchange over the Internet plays a crucial role in the successful application of web-based systems. In this paper, a data transfer mechanism over the Internet is proposed for real time web based applications. The mechanism incorporates the eXtensible Markup Language （XML） and Hierarchical Data Format （HDF） to provide a flexible and efficient data format. Heterogeneous transfer data is classified into light and heavy data, which are stored using XML and HDF respectively; the HDF data format is then mapped to Java Document Object Model （JDOM） objects in XML in the Java environment. These JDOM data objects are sent across computer networks with the support of the Java Remote Method Invocation （RMI） data transfer infrastructure. Client＇s defined data priority levels are implemented in RMI, which guides a server to transfer data objects at different priorities. A remote monitoring system for an industrial reactor process simulator is used as a case study to illustrate the proposed data transfer mechanism.展开更多
文摘SCF-MO-AM1 calculations have been per formed on 10 silacyclohex-ane-based liquid crystal compounds by energy gradient completed optimization. The stable configurations, electronic structures, heats of formation, dipole moments and ionization potentials of titled comPounds are first reported. The calculated results are.discussed relating to the classical organic electronic theory.
文摘AM 1 and PM 3 SCF MO calculation have been performed to obtain molecular geometries of 7 1 isopropyl silacyclohexane based liquid crystal compounds biphenyl ethane series by energy gradient completed optimization.For all optimized configurations,there is no imaginary frequency in vibrational analysis.The stable configuration,electronic structure,and some molecular properties of title compounds(heat of formation,dipole moment and energy level of frontal molecule orbital,etc) are frist reported.The calculated results are fully discussed with rspect to the organic structure theory.
文摘Efficient real time data exchange over the Internet plays a crucial role in the successful application of web-based systems. In this paper, a data transfer mechanism over the Internet is proposed for real time web based applications. The mechanism incorporates the eXtensible Markup Language （XML） and Hierarchical Data Format （HDF） to provide a flexible and efficient data format. Heterogeneous transfer data is classified into light and heavy data, which are stored using XML and HDF respectively; the HDF data format is then mapped to Java Document Object Model （JDOM） objects in XML in the Java environment. These JDOM data objects are sent across computer networks with the support of the Java Remote Method Invocation （RMI） data transfer infrastructure. Client＇s defined data priority levels are implemented in RMI, which guides a server to transfer data objects at different priorities. A remote monitoring system for an industrial reactor process simulator is used as a case study to illustrate the proposed data transfer mechanism.
