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北京大学 [5]
大连化学物理研究所 [5]
化学研究所 [3]
上海药物研究所 [2]
高能物理研究所 [2]
中国科学院大学 [2]
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期刊论文 [27]
发表日期
2016 [27]
学科主题
Chemistry,... [2]
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Effects of phenolic hydroxyl and carboxyl groups on the concentration of different forms of water in brown coal and their dewatering energy
期刊论文
Fuel processing technology, 2016, 卷号: 154, 页码: 7-18
作者:
Han, Yan-Na
;
Bai, Zong-Qing
;
Liao, Jun-Jie
;
Bai, Jin
;
Dai, Xin
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2019/05/09
Oxygen functional groups
Forms of water
Brown coal
Dewatering energy
A theoretical study of weak interactions in phenylenediamine homodimer clusters
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 42, 页码: 29249-29257
作者:
Yuan, Chengqian
;
Wu, Haiming
;
Jia, Meiye
;
Su, Peifeng
;
Luo, Zhixun
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2016/12/29
The radical and bond cleavage behaviors of 14 coals during pyrolysis with 9,10-dihydrophenanthrene
期刊论文
Fuel, 2016, 卷号: 182, 页码: 480-486
作者:
Liu, Muxin
;
Yang, Jianli
;
Yang, Yong
;
Liu, Zhenyu
;
Shi, Lei
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2019/05/09
Coal pyrolysis
Covalent bond
Free radicals
Kinetics
Hydrogen donation
Unraveling weak interactions in aniline-pyrrole dimer clusters
期刊论文
SCIENCE CHINA-CHEMISTRY, 2016, 卷号: 59, 期号: 10, 页码: 1270-1276
作者:
Yuan, Chengqian
;
An, Pan
;
Chen, Jing
;
Luo, Zhixun
;
Yao, Jiannian
收藏
  |  
浏览/下载:76/0
  |  
提交时间:2017/01/17
weak intermolecular interactions
aniline
pyrrole
dimer cluster
hydrogen bonding
nature bond orbital
energy decomposition
Multi-stimuli Responsive Supramolecular Structures Based on Azobenzene Surfactant-Encapsulated Polyoxometalate
期刊论文
LANGMUIR, 2016, 卷号: 32, 期号: 36, 页码: 9293-9300
作者:
Yu, Li
;
Gong, Yanjun
;
Gao, Yan'an
;
Guo, Yongxian
;
Xiao, Jianhong
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  |  
浏览/下载:15/0
  |  
提交时间:2019/06/20
Photodissociation and density functional calculations of A(2)M(+) and G(2)M(+) (A = adenine, G = guanine, M = Cu, Ag, and Au) cluster ions
期刊论文
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2016, 卷号: 407, 页码: 118-125
作者:
Wang, Peng
;
Cao, Guo-Jin
;
Xu, Hong-Guang
;
Xu, Xi-Ling
;
Zheng, Wei-Jun
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/06/20
Photodissociation
Density Functional Calculations
Nucleobases
Cluster Cations
Intramolecular halogen bonds in 1,2-aryldiyne molecules: a theoretical study
期刊论文
STRUCTURAL CHEMISTRY, 2016, 卷号: 27, 期号: 3, 页码: 907-917
作者:
Zhang, Yuchen
;
Lu, Yunxiang
;
Xu, Zhijian
;
Ding, Hairong
;
Wu, Weihong
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  |  
浏览/下载:10/0
  |  
提交时间:2019/01/08
Intramoleuclar halogen bonds
1,2-aryldiyne compounds
M06-2x
CSD
Research on Mg3N2 clusters adsorbing H by density functional theory
期刊论文
Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering, 2016, 卷号: 45, 期号: 5, 页码: 1182-1188
作者:
Chen, Yuhong
;
Li, Wenqiang
;
Zhang, Meiling
;
Zhang, Cairong
;
Kang, Long
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2020/11/14
Atoms
Chemical bonds
Electronic structure
Ground state
Hydrogen storage
Isomers
Magnesium compounds
(Mg3N2)nHm clusters
Adsorbed H
Bonding characteristics
Covalent interactions
Geometrical structure
Ground-state structures
Relative stabilities
Vibrational properties
Theoretical investigation on ESIPT mechanism of a new fluorescent sensor in different solvents
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2016, 卷号: 159, 页码: 30-34
作者:
Yang, Dapeng
;
Zheng, Rui
;
Wang, Yusheng
;
Lv, Jian
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/06/20
Hydrogen Bonding
Esipt
Frontier Molecular Orbitals
Electronic Spectra
Potential Energy Curves
Phase equilibrium and Raman spectroscopic studies of semi-clathrate hydrates for methane, nitrogen and tetra-butyl-ammonium fluoride
期刊论文
fluid phase equilibria, 2016, 卷号: 413, 页码: 48-52
作者:
Cai, Jing
;
Xu, Chun-Gang
;
Hu, Ya-Fei
;
Ding, Ya-Long
;
Li, Xiao-Sen
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  |  
浏览/下载:12/0
  |  
提交时间:2016/12/05
Hydrate
Phase equilibrium
TBAF
Semi-clathrate
Dissociation enthalpy
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