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Excited-State Deactivation of Branched Phthalocyanine Compounds 期刊论文
CHEMPHYSCHEM, 2015, 卷号: 16, 期号: 18, 页码: 3893-3901
作者:  Zhu, Huaning;  Li, Yang;  Chen, Jun;  Zhou, Meng;  Niu, Yingli
收藏  |  浏览/下载：25/0  |  提交时间：2016/02/22
Analyses of the influences of molecular vacancy defect on the geometrical structure, electronic structure, and vibration characteristics of Hexogeon energetic material 期刊论文
ACTA PHYSICA SINICA, 2015, 卷号: 64, 期号: 24
作者:  Jiang Yan-Xue;  Peng Ya-Jing
收藏  |  浏览/下载：177/0  |  提交时间：2019/06/20
Theoretical Study of FH2- Electron Photodetachment Spectra on New Ab Initio Potential Energy Surfaces 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 50, 页码: 12193-12208
作者:  Yu, Dequan;  Chen, Jun;  Cong, Shulin;  Sun, Zhigang
收藏  |  浏览/下载：16/0  |  提交时间：2019/06/20
Crossed Molecular Beams and Quasiclassical Trajectory Surface Hopping Studies of the Multichannel Nonadiabatic O(P-3) + Ethylene Reaction at High Collision Energy 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 50, 页码: 12498-12511
作者:  Balucani, Nadia;  Leonori, Francesca;  Casavecchia, Piergiorgio;  Fu, Bina;  Bowman, Joel M.
收藏  |  浏览/下载：24/0  |  提交时间：2019/06/20
Selectively Probing the Structures and Dynamics of beta-Peptide Aggregates Using the Amide-A Vibrational Marker 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 卷号: 119, 期号: 50, 页码: 15451-15459
作者:  Wang, Jianping;  Yang, Fan;  Zhao, Juan
收藏  |  浏览/下载：15/0  |  提交时间：2016/02/01
Modeling Ester Carbonyl Stretching FTIR in Water and DMSO based on MD simulation and an ab initio Map 期刊论文
journal of physical chemistry b, 2015, 卷号: 119, 期号: 0, 页码: 12390
作者:  Fang B(方彬);  Wang TJ(王天骏);  Chen X(陈娴);  Jin T(金坦);  Zhang RT(张睿挺)
收藏  |  浏览/下载：10/0  |  提交时间：2016/11/24
Theoretical investigation of the effects of impurity on the properties of Nb2GeC 期刊论文
ACTA PHYSICA SINICA, 2015, 卷号: 64, 页码: 7
作者:  Chen Jun-Jun;  Duan Ji-Zheng;  Zhang Xue-Zhi;  Jiang Xin;  Duan Wen-Shan
收藏  |  浏览/下载：10/0  |  提交时间：2018/05/31
Understanding the Amide-II Vibrations in beta-Peptides 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 卷号: 119, 期号: 47, 页码: 14831-14839
作者:  Zhao, Juan;  Wang, Jianping
收藏  |  浏览/下载：8/0  |  提交时间：2016/01/12
How to Optimize the Interface between Photosensitizers and TiO2 Nanocrystals with Molecular Engineering to Enhance Performances of Dye-Sensitized Solar Cells? 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2015, 卷号: 7, 期号: 45, 页码: 25341-25351
作者:  Zheng, Jiaxin;  Zhang, Kai;  Fang, Yanyan;  Zuo, Yunxing;  Duan, Yandong
收藏  |  浏览/下载：28/0  |  提交时间：2015/12/28
Structures and Electronic Properties of (KI)(n)(-/0) (n=1-4) and K(KI)(n)(-/0) (n=1-3) Clusters: Photoelectron Spectroscopy, Isomer-Depletion, and ab lnitio Calculations 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 45, 页码: 11154-11161
作者:  Hou, Gao-Lei;  Feng, Gang;  Zhao, Li-Juan;  Xu, Hong-Guang;  Zheng, Wei-Jun
收藏  |  浏览/下载：20/0  |  提交时间：2015/12/21

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