QIBEBT-IR  > 先进材料理论与模拟团队
Browse Items

Browse/Search Results:  1-10 of 22 Help

Filters                
Selected(0)Clear Items/Page:    Sort:
非绝热动力学方法研究及应用 学位论文
, 北京: 中国科学院大学, 2018
Authors:  胡德平
Adobe PDF(2779Kb)  |  Favorite  |  View/Download:12/0  |  Submit date:2018/12/29
N-Alkylation vs O-Alkylation: Influence on the Performance of a Polymeric Field-Effect Transistors Based on a Tetracyclic Lactam Building Block 期刊论文
MACROMOLECULES, 2017, 卷号: 50, 期号: 21, 页码: 8497-8504
Authors:  Cai, Mian;  Zhao, Zhiyuan;  Liu, Yanfang;  Wang, Xiao;  Liu;  Lan, Zhenggang, Wan, Xiaobo;  Wan, Xiaobo
Adobe PDF(4278Kb)  |  Favorite  |  View/Download:89/28  |  Submit date:2018/01/05
Construction of Vibronic Diabatic Hamiltonian for Excited-State Electron and Energy Transfer Processes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 50, 页码: 9567-9578
Authors:  Xie, yu;  Jiang, Shengshi;  Zheng, Jie;  Lan, Zhenggang
Adobe PDF(2851Kb)  |  Favorite  |  View/Download:62/22  |  Submit date:2018/01/05
The behavior of hydroxide and hydronium ions at the hexadecane-water interface studied with second harmonic generation and zeta potential measurements 期刊论文
SOFT MATTER, 2017, 卷号: 13, 期号: 43, 页码: 7962-7968
Authors:  Gan, Wei;  Wu, Wei;  Yang, Fangyuan;  Hu, Deping;  Fang, Hui;  Lan, Zhenggang;  Yuan, Qunhui
Favorite  |  View/Download:34/0  |  Submit date:2017/12/22
Ultrafast Excited-State Energy Transfer in DTDCTB Dimers Embedded in a Crystal Environment: Quantum Dynamics with the Multilayer Multiconfigurational Time-Dependent Hartree Method 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 49, 页码: 27263-27273
Authors:  Jiang, Shengshi;  Zheng, Jie;  Xie, Yu;  Lan Zhenggang;  Lan, Zhenggang
Adobe PDF(3279Kb)  |  Favorite  |  View/Download:64/22  |  Submit date:2018/01/05
Photodimerization Kinetics of a Styrylquinoline Derivative in Langmuir-Blodgett Monolayers Monitored by Second Harmonic Generation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 42, 页码: 23541-23550
Authors:  Ma, Yingxue;  Xie, Yu;  Lin, Lu;  Zhang, Li;  Liu, Minghua;  Guo, Yuan;  Lan, Zhenggang;  Lu, Zhou
Favorite  |  View/Download:57/0  |  Submit date:2017/12/22
Analysis of the Geometrical Evolution in On-the-Fly Surface-Hopping Nonadiabatic Dynamics with Machine Learning Dimensionality Reduction Approaches: Classical Multidimensional Scaling and Isometric Feature Mapping 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 10, 页码: 4611-4623
Authors:  Li, Xusong;  Xie, Yu;  Hu, Deping;  Lan, Zhenggang
Favorite  |  View/Download:114/0  |  Submit date:2017/12/04
Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface 期刊论文
NANO LETTERS, 2017, 卷号: 17, 期号: 10, 页码: 6435-6442
Authors:  Zheng, Qijing;  Saidi, Wissam A.;  Xie, Yu;  Lan, Zhenggang;  Prezhdo, Oleg V.;  Petek, Hrvoje;  Zhao, Jin
Favorite  |  View/Download:55/0  |  Submit date:2017/12/04
Van Der Waals Heterointeiface  Nonadiabatic Molecular Dynamics  Ultrafast Charge Transfer  
Initial state-specific photodissociation dynamics of pyrrole via (1)pi sigma*/S-0 conical intersection initiated with optimally controlled UV-laser pulses 期刊论文
EUROPEAN PHYSICAL JOURNAL D, 2017, 卷号: 71, 期号: 9
Authors:  Nandipati, K. R.;  Kanakati, Arun Kumar;  Singh, H.;  Lan, Z.;  Mahapatra, S.
Favorite  |  View/Download:34/0  |  Submit date:2017/12/04
Nonadiabatic dynamics simulation of keto isocytosine: a comparison of dynamical performance of different electronic-structure methods 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 29, 页码: 19168-19177
Authors:  Hu, Deping;  Liu, Yan Fang;  Sobolewski, Andrzej L.;  Lan, Zhenggang
Favorite  |  View/Download:50/0  |  Submit date:2017/12/14