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非绝热动力学方法研究及应用 学位论文  OAI收割
北京: 中国科学院大学, 2018
作者:  胡德平
  |  收藏  |  浏览/下载：47/0  |  提交时间：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  OAI收割
MACROMOLECULES, 2017, 卷号: 50, 期号: 21, 页码: 8497-8504
作者:  Cai, Mian;  Zhao, Zhiyuan;  Liu, Yanfang;  Wang, Xiao;  Liu
  |  收藏  |  浏览/下载：69/0  |  提交时间：2018/01/05
Construction of Vibronic Diabatic Hamiltonian for Excited-State Electron and Energy Transfer Processes 期刊论文  OAI收割
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 50, 页码: 9567-9578
作者:  Xie, yu;  Jiang, Shengshi;  Zheng, Jie;  Lan, Zhenggang
  |  收藏  |  浏览/下载：99/0  |  提交时间：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  OAI收割
SOFT MATTER, 2017, 卷号: 13, 期号: 43, 页码: 7962-7968
作者:  Gan, Wei;  Wu, Wei;  Yang, Fangyuan;  Hu, Deping;  Fang, Hui
  |  收藏  |  浏览/下载：101/0  |  提交时间：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  OAI收割
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 49, 页码: 27263-27273
作者:  Jiang, Shengshi;  Zheng, Jie;  Xie, Yu;  Lan Zhenggang;  Lan, Zhenggang
  |  收藏  |  浏览/下载：69/0  |  提交时间：2018/01/05
Photodimerization Kinetics of a Styrylquinoline Derivative in Langmuir-Blodgett Monolayers Monitored by Second Harmonic Generation 期刊论文  OAI收割
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 42, 页码: 23541-23550
作者:  Ma, Yingxue;  Xie, Yu;  Lin, Lu;  Zhang, Li;  Liu, Minghua
  |  收藏  |  浏览/下载：92/0  |  提交时间：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  OAI收割
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 10, 页码: 4611-4623
作者:  Li, Xusong;  Xie, Yu;  Hu, Deping;  Lan, Zhenggang
  |  收藏  |  浏览/下载：53/0  |  提交时间：2017/12/04
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：186/0  |  提交时间：2017/12/04
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  OAI收割
EUROPEAN PHYSICAL JOURNAL D, 2017, 卷号: 71, 期号: 9
作者:  Nandipati, K. R.;  Kanakati, Arun Kumar;  Singh, H.;  Lan, Z.;  Mahapatra, S.
  |  收藏  |  浏览/下载：59/0  |  提交时间：2017/12/04
Nonadiabatic dynamics simulation of keto isocytosine: a comparison of dynamical performance of different electronic-structure methods 期刊论文  OAI收割
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 29, 页码: 19168-19177
作者:  Hu, Deping;  Liu, Yan Fang;  Sobolewski, Andrzej L.;  Lan, Zhenggang
  |  收藏  |  浏览/下载：66/0  |  提交时间：2017/12/14