QQ客服 官方微博 反馈留言

浏览/检索结果: 共4条，第1-4条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Excited-state properties of a blue luminescent covalent organic framework by the time-dependent density-functional tight-binding method 期刊论文 computational and theoretical chemistry, 2014, 卷号: 1030, 期号: 1, 页码: 17-24 作者:  Fan, Guo-Hong;  Li, Xing;  Liu, Jian-Yong;  He, Guo-Zhong 收藏  |  浏览/下载：31/0  |  提交时间：2015/11/16 Excited state  Covalent organic framework  Carrier transport  Luminescence  Dispersion interaction  Interlayer stacking   Time-dependent Density Functional-based Tight-bind Method Efficiently Implemented with OpenMP Parallel and GPU Acceleration 期刊论文 chinese journal of chemical physics, 2013, 卷号: 26, 期号: 6, 页码: 635-645 作者:  Fan, Guo-hong;  Han, Ke-li;  He, Guo-zhong 收藏  |  浏览/下载：55/0  |  提交时间：2015/11/09 Density-functional theory  Tight-binding method  Time-dependent density functional theory  Excited state  Graphical processing unit  Krylov iterative algorithm  Sparse matrix  OpenMP   Nonadiabatic dynamics study of bridged-azobenzene by the time-dependent density functional tight-binding method 期刊论文 computational and theoretical chemistry, 2013, 卷号: 1023, 页码: 10-18 作者:  Fan, Guohong;  Liu, Jianyong;  He, Guozhong 收藏  |  浏览/下载：17/0  |  提交时间：2014/09/11 Nonadiabatic dynamics  Photo-isomerization  Zhu-Nakamura theory  Bridged-azobenzene  Time-dependent density functional tight-binding method   Atomistic Simulations of Self-Trapped Exciton Formation in Silicon Nanostructures: The Transition from Quantum Dots to Nanowires 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2009, 卷号: 113, 期号: 30, 页码: 12935 Wang, Y; Zhang, RQ; Frauenheim, T; Niehaus, TA 收藏  |  浏览/下载：13/0  |  提交时间：2013/09/17 TIGHT-BINDING METHOD  ELECTRONIC-PROPERTIES  STATES  NANOCLUSTERS  SYSTEMS