机构

• 大连化学物理研究所 [8]
• 青岛生物能源与过程研... [5]
• 化学研究所 [2]
• 物理研究所 [1]
• 武汉物理与数学研究所 [1]
• 半导体研究所 [1]
• 更多

采集方式

• OAI收割 [18]

内容类型

• 期刊论文 [18]

发表日期

• 2017 [5]
• 2015 [2]
• 2013 [2]
• 2012 [3]
• 2009 [2]
• 2007 [1]
• 更多

学科主题

• 半导体化学 [1]
• 物理化学 [1]
• 能源应用技术::多相... [1]

筛选

浏览/检索结果: 共18条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Ultrafast Electron Transfer with Symmetrical Quasi-classical Dynamics based on Mapping Hamiltonian and Quantum Dynamics based on ML-MCTDH 期刊论文  OAI收割 CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 800-810 作者:  Zheng, Jie;  Xie, Yu;  Jiang, Sheng-shi;  Long, Yun-ze;  Ning, Xin   |  收藏  |  浏览/下载：37/0  |  提交时间：2018/09/06 Mapping Hamiltonian  Semiclassical Dynamics  Nonadiabatic Dynamics   On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations 期刊论文  OAI收割 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 186, 页码: 52-58 作者:  Zhao, Li;  Liu, Jian-Yong;  Zhou, Pan-Wang 收藏  |  浏览/下载：24/0  |  提交时间：2017/12/20 Nonadiabatic  Fluorescent proteins  Excited state  Dynamics simulation   On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations 期刊论文  OAI收割 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 186, 页码: 52-58 作者:  Zhao, Li;  Liu, Jian-Yong;  Zhou, Pan-Wang 收藏  |  浏览/下载：26/0  |  提交时间：2017/12/20 Nonadiabatic  Fluorescent proteins  Excited state  Dynamics simulation   Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface 期刊论文  OAI收割 NANO LETTERS, 2017, 卷号: 17, 期号: 10, 页码: 6435-6442 作者:  Zheng, Qijing;  Saidi, Wissam A.;  Xie, Yu;  Lan, Zhenggang;  Prezhdo, Oleg V.   |  收藏  |  浏览/下载：157/0  |  提交时间：2017/12/04 Van Der Waals Heterointeiface  Nonadiabatic Molecular Dynamics  Ultrafast Charge Transfer   Ultrafast Nonadiabatic Dynamics of Electronically Excited 2-Methyl Furan 期刊论文  OAI收割 ACTA PHYSICO-CHIMICA SINICA, 2017, 卷号: 33, 期号: 3, 页码: 506-512 作者:  Long Jin-You;  Zhang Bing;  Qiu Xue-Jun;  Liu Zhi-Ming   |  收藏  |  浏览/下载：30/0  |  提交时间：2017/11/23 Ultrafast  Photoelectron Imaging  Nonadiabatic Dynamics  2-methyl Furan   Nonadiabatic dynamics and photoisomerization of biomimetic photoswitches 期刊论文  OAI收割 CHEMICAL PHYSICS, 2015, 卷号: 463, 页码: 95-105 作者:  Hu, Deping;  Huang, Jing;  Xie, Yu;  Yue, Ling;  Zhuang, Xuhui 收藏  |  浏览/下载：25/0  |  提交时间：2016/01/14 NAIP  Nonadiabatic dynamics  Photoswitch  Photoisomerization  Surface hopping  Semi-empirical method   Computational Modeling of Photoexcitation in DNA Single and Double Strands 期刊论文  OAI收割 PHOTOINDUCED PHENOMENA IN NUCLEIC ACIDS II: DNA FRAGMENTS AND PHENOMENOLOGICAL ASPECTS, 2015, 卷号: 356, 期号: 1, 页码: 89-122 作者:  Lu, You;  Lan, Zhenggang;  Thiel, Walter;  Barbatti, M;  Borin, AC 收藏  |  浏览/下载：22/0  |  提交时间：2015/11/02 Base pairing  Base stacking  Charge transfer  Delocalized state  DNA strand  Exciton  Hydrogen bond  Nonadiabatic dynamics  Photoexcitation  QM/MM   Nonadiabatic dynamics study of bridged-azobenzene by the time-dependent density functional tight-binding method 期刊论文  OAI收割 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：25/0  |  提交时间：2014/09/11 Nonadiabatic dynamics  Photo-isomerization  Zhu-Nakamura theory  Bridged-azobenzene  Time-dependent density functional tight-binding method   Regulating energy transfer of excited carriers and the case for excitation-induced hydrogen dissociation on hydrogenated graphene 期刊论文  OAI收割 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2013, 卷号: 110, 期号: 3, 页码: 908 Bang, J; Meng, S; Sun, YY; West, D; Wang, ZG; Gao, F; Zhang, SB 收藏  |  浏览/下载：26/0  |  提交时间：2014/01/16 photodissociation  nonadiabatic dynamics  first-principles calculation   Quantum chemical insights into the aggregation induced emission phenomena: A QM/MM study for pyrazine derivatives 期刊论文  OAI收割 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2012, 卷号: 33, 期号: 23, 页码: 1862-1869 作者:  Wu, Qunyan;  Deng, Chunmei;  Peng, Qian;  Niu, Yingli;  Shuai, Zhigang   |  收藏  |  浏览/下载：13/0  |  提交时间：2019/04/09 Nonadiabatic Dynamics  Excited State Decay  Aggregation Induced Emission