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CORC

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Solvation effects on the N-O and O-H stretching modes in hydrated NO3-(H2O)(n) clusters 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 42, 页码: 26918-26925
作者:  Kong, Xiangtao;  Liu, Zhi-Feng;  Li, Huiyan;  Jiang, Ling
收藏  |  浏览/下载：37/0  |  提交时间：2019/06/20
Solvation effects on the n-o and o-h stretching modes in hydrated no3-(h2o)(n) clusters 期刊论文
Physical chemistry chemical physics, 2018, 卷号: 20, 期号: 42, 页码: 26918-26925
作者:  Li, Huiyan;  Kong, Xiangtao;  Jiang, Ling;  Liu, Zhi-Feng
收藏  |  浏览/下载：40/0  |  提交时间：2019/05/08
Dual effects of water vapor on ceria-supported gold clusters 期刊论文
NANOSCALE, 2018, 卷号: 10, 期号: 14, 页码: 6558-6565
作者:  Li, Zhimin;  Abroshan, Hadi;  Jin, Rongchao;  Li, Gao;  Li, Weili
收藏  |  浏览/下载：19/0  |  提交时间：2019/06/20
Atomic level tuning of the catalytic properties: Doping effects of 25-atom bimetallic nanoclusters on styrene oxidation 期刊论文
CATALYSIS TODAY, 2016, 卷号: 278, 页码: 187-191
作者:  
收藏  |  浏览/下载：18/0  |  提交时间：2017/10/29
Multiscale Simulations on Spectral Tuning and the Photoisomerization Mechanism in Fluorescent RNA Spinach 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 卷号: 12, 期号: 11, 页码: 5453-5464
作者:  Chung, Lung Wa;  Li, Xin;  Li, Guohui
收藏  |  浏览/下载：19/0  |  提交时间：2019/06/20
Tailoring the Electronic and Catalytic Properties of Au-25 Nanoclusters via Ligand Engineering 期刊论文
ACS NANO, 2016, 卷号: 10, 期号: 8, 页码: 7998-8005
作者:  Li, Gao;  Abroshan, Hadi;  Liu, Chong;  Zhuo, Shuo;  Li, Zhimin
收藏  |  浏览/下载：16/0  |  提交时间：2019/06/20
Vibrational Spectra and Theoretical Calculations of cis- and trans-3Fluoro-N-methylaniline in the Neutral (S-0) and Cationic (D-0) Ground States 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 卷号: 120, 期号: 1, 页码: 81-94
作者:  Zhang, Lijuan;  Liu, Sheng;  Cheng, Min;  Du, Yikui;  Zhu, Qihe
收藏  |  浏览/下载：11/0  |  提交时间：2019/06/20
Mild activation of CeO2-supported gold nanoclusters and insight into the catalytic behavior in CO oxidation 期刊论文
NANOSCALE, 2016, 卷号: 8, 期号: 4, 页码: 2378-2385
作者:  Chen, Yuxiang;  Ma, Xiangang;  Xu, Hengyong;  Li, Weili;  Zhu, Manzhou
收藏  |  浏览/下载：23/0  |  提交时间：2019/06/20
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：178/0  |  提交时间：2019/06/20
Theoretical study of iron acyl complexes modeling the active site of [Fe]-hydrogenase: Solvation effects play a significant role 期刊论文
computational and theoretical chemistry, 2015, 卷号: 1064, 页码: 45-50
作者:  Li, Chaozheng;  Fu, Zhiqiang;  Zhang, Xiaoqian;  Liu, Yufang;  Wang, Yong
收藏  |  浏览/下载：19/0  |  提交时间：2015/11/17

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