[目的]利用本课题组发展的定量分析方法研究激发态DNA碱基对分子间相互作用的本质,以及不同类型的电子跃迁对DNA碱基对分子间相互作用的影响.[方法]采用广义Kohn-Sham能量分解分析方法(generalized Kohn-Sham based energy decompositio...[目的]利用本课题组发展的定量分析方法研究激发态DNA碱基对分子间相互作用的本质,以及不同类型的电子跃迁对DNA碱基对分子间相互作用的影响.[方法]采用广义Kohn-Sham能量分解分析方法(generalized Kohn-Sham based energy decomposition analysis,GKS-EDA),对两种Waston-Crick构型和两种stacked构型的DNA碱基对分子间相互作用本质进行理论研究.[结果]对于Waston-Crick构型的碱基对,n→π^(*)跃迁削弱了轨道极化作用但加强了电子相关作用,激发态分子间相互作用由电子相关作用主导,而π→π^(*)跃迁对分子间氢键影响较小;对于stacked构型的碱基对,π→π^(*)跃迁削弱了静电相互作用但增强了电子相关作用.[结论]Waston-Crick构型碱基对分子间相互作用本质受电子激发跃迁影响较大,而电子激发跃迁基本不改变stacked构型碱基对分子间相互作用本质.展开更多
A modified multiple-component scattering power decomposition for analyzing polarimetric synthetic aperture radar(PolSAR)data is proposed.The modified decomposition involves two distinct steps.Firstly,ei⁃genvectors of ...A modified multiple-component scattering power decomposition for analyzing polarimetric synthetic aperture radar(PolSAR)data is proposed.The modified decomposition involves two distinct steps.Firstly,ei⁃genvectors of the coherency matrix are used to modify the scattering models.Secondly,the entropy and anisotro⁃py of targets are used to improve the volume scattering power.With the guarantee of high double-bounce scatter⁃ing power in the urban areas,the proposed algorithm effectively improves the volume scattering power of vegeta⁃tion areas.The efficacy of the modified multiple-component scattering power decomposition is validated using ac⁃tual AIRSAR PolSAR data.The scattering power obtained through decomposing the original coherency matrix and the coherency matrix after orientation angle compensation is compared with three algorithms.Results from the experiment demonstrate that the proposed decomposition yields more effective scattering power for different PolSAR data sets.展开更多
文摘[目的]利用本课题组发展的定量分析方法研究激发态DNA碱基对分子间相互作用的本质,以及不同类型的电子跃迁对DNA碱基对分子间相互作用的影响.[方法]采用广义Kohn-Sham能量分解分析方法(generalized Kohn-Sham based energy decomposition analysis,GKS-EDA),对两种Waston-Crick构型和两种stacked构型的DNA碱基对分子间相互作用本质进行理论研究.[结果]对于Waston-Crick构型的碱基对,n→π^(*)跃迁削弱了轨道极化作用但加强了电子相关作用,激发态分子间相互作用由电子相关作用主导,而π→π^(*)跃迁对分子间氢键影响较小;对于stacked构型的碱基对,π→π^(*)跃迁削弱了静电相互作用但增强了电子相关作用.[结论]Waston-Crick构型碱基对分子间相互作用本质受电子激发跃迁影响较大,而电子激发跃迁基本不改变stacked构型碱基对分子间相互作用本质.
基金Supported by the National Natural Science Foundation of China(62376214)the Natural Science Basic Research Program of Shaanxi(2023-JC-YB-533)Foundation of Ministry of Education Key Lab.of Cognitive Radio and Information Processing(Guilin University of Electronic Technology)(CRKL200203)。
文摘A modified multiple-component scattering power decomposition for analyzing polarimetric synthetic aperture radar(PolSAR)data is proposed.The modified decomposition involves two distinct steps.Firstly,ei⁃genvectors of the coherency matrix are used to modify the scattering models.Secondly,the entropy and anisotro⁃py of targets are used to improve the volume scattering power.With the guarantee of high double-bounce scatter⁃ing power in the urban areas,the proposed algorithm effectively improves the volume scattering power of vegeta⁃tion areas.The efficacy of the modified multiple-component scattering power decomposition is validated using ac⁃tual AIRSAR PolSAR data.The scattering power obtained through decomposing the original coherency matrix and the coherency matrix after orientation angle compensation is compared with three algorithms.Results from the experiment demonstrate that the proposed decomposition yields more effective scattering power for different PolSAR data sets.
