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浏览/检索结果:
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Towards fully ab initio simulation of atmospheric aerosol nucleation
期刊论文
NATURE COMMUNICATIONS, 2022, 卷号: 13
作者:
Jiang, Shuai
;
Liu, Yi-Rong
;
Huang, Teng
;
Feng, Ya-Juan
;
Wang, Chun-Yu
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浏览/下载:24/0
  |  
提交时间:2022/12/23
Nitrile group as IR probe to detect the structure and hydrogen-bond properties of piperidinium/pyrrolidinium based ionic liquids and acetonitrile mixtures
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2021, 卷号: 322, 页码: 9
作者:
Zheng, Yan-Zhen
;
Zhou, Yu
;
He, Hong-Yan
;
Guo, Rui
;
Chen, Da-Fu
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  |  
浏览/下载:11/0
  |  
提交时间:2021/03/29
Ionic liquids
Acetonitrile
Hydrogen-bond
Density functional theory
Infrared spectroscopy
Excess spectra
Pnictogen, chalcogen, and halogen bonds in catalytic systems: theoretical study and detailed comparison
期刊论文
JOURNAL OF MOLECULAR MODELING, 2020, 卷号: 26, 期号: 1, 页码: 12
作者:
Lu, Ling
;
Lu, Yunxiang
;
Zhu, Zhengdan
;
Liu, Honglai
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  |  
浏览/下载:37/0
  |  
提交时间:2020/07/01
sigma-Hole interactions
Catalysis
Comparison
Binding strength
Activity
Bioinspired Healable Mechanochromic Function from Fluorescent Polyurethane Composite Film
期刊论文
CHEMISTRYOPEN, 2019, 页码: 6
作者:
Song, Xiaoke
;
Wang, Jun-Peng
;
Song, Yan
;
Qi, Tao
;
Li, Guo Liang
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  |  
浏览/下载:22/0
  |  
提交时间:2020/03/24
Mechanochromic
Healable
Bioinspired Materials
Bifunction
Halogen bonding in differently charged complexes: basic profile, essential interaction terms and intrinsic sigma-hole
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 27, 页码: 15106-15119
作者:
Zhu, Zhengdan
;
Wang, Guimin
;
Xu, Zhijian
;
Chen, Zhaoqiang
;
Wang, Jinan
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  |  
浏览/下载:37/0
  |  
提交时间:2020/07/01
Theoretical insights into excited-state intramolecular and multiple intermolecular hydrogen bonds in 2-(2-Hydroxy-phenyl)-4(3H)-quinazolinone
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 207, 页码: 61-67
作者:
Liu, Li-Yan
;
Wu, Shuai-Shuai
;
Yu, Jie
;
Chai, Shuo
;
Cong, Shu-Lin
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  |  
浏览/下载:48/0
  |  
提交时间:2019/06/20
Hydrogen bonds
ESIPT
Configuration twisting
Potential energy curves
Fluorescence
Theoretical insights into excited-state intramolecular and multiple intermolecular hydrogen bonds in 2-(2-hydroxy-phenyl)-4(3h)-quinazolinone
期刊论文
Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 207, 页码: 61-67
作者:
Liu, Li-Yan
;
Wu, Shuai-Shuai
;
Yu, Jie
;
Chai, Shuo
;
Cong, Shu-Lin
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  |  
浏览/下载:104/0
  |  
提交时间:2019/05/08
Hydrogen bonds
Esipt
Configuration twisting
Potential energy curves
Fluorescence
Damaging Intermolecular Energy and Proton Transfer Processes in Alpha-Particle-Irradiated Hydrogen-Bonded Systems
期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2018, 卷号: 57, 页码: 17023-17027
作者:
Xu, Shenyue
;
Guo, Dalong
;
Ma, Xinwen
;
Zhu, Xiaolong
;
Feng, Wentian
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  |  
浏览/下载:99/0
  |  
提交时间:2019/03/27
charged particles
energy transfer
proton transfer
radiation damage
Theoretical Exploration of Halogen Bonding Interactions in the Complexes of Novel Nitroxide Radical Probes and Comparison with Hydrogen Bonds
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 22, 页码: 5058-5068
作者:
Zhao, Chengxi
;
Lu, Yunxiang
;
Zhu, Zhengdan
;
Liu, Honglai
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  |  
浏览/下载:15/0
  |  
提交时间:2019/01/08
Naturally abundant high-performance rechargeable aluminum/iodine batteries based on conversion reaction chemistry
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2018, 卷号: 6, 期号: 21, 页码: 9984, 9996
作者:
Zhang, Shunlong
;
Tan, Xiaojian
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  |  
浏览/下载:42/0
  |  
提交时间:2018/12/28
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