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科研机构
大连化学物理研究所 [64]
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期刊论文 [64]
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2019 [8]
2018 [9]
2017 [8]
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物理化学 [7]
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Two-state diabatic potential energy surfaces of ClH2 based on nonadiabatic couplings with neural networks
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 36, 页码: 20372-20383
作者:
Yin, Zhengxi
;
Guan, Yafu
;
Fu, Bina
;
Zhang, Dong H.
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2019/12/02
Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited (2)sigma(+) state of OH by molecular hydrogen
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 10, 页码: 25
作者:
Shu, Yinan
;
Kryven, Joanna
;
Sampaio de Oliveira-Filho, Antonio Gustavo
;
Zhang, Linyao
;
Song, Guo-Liang
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  |  
浏览/下载:61/0
  |  
提交时间:2019/12/02
Vibrationally resolved above-threshold ionization in NO molecules by intense ultrafast two-color laser pulses: An experimental and theoretical study
期刊论文
PHYSICAL REVIEW A, 2019, 卷号: 100, 期号: 2, 页码: 16
作者:
Liu, Yong
;
Hu, Wenhui
;
Luo, Sizuo
;
Yuan, Kai-Jun
;
Sun, Zhigang
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  |  
浏览/下载:58/0
  |  
提交时间:2019/12/02
Rh(i)-Catalyzed intramolecular [2+2+1] cycloaddition of diynes with the N-terminal of the diazo group
期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 14, 页码: 2329-2333
作者:
Wang, Bo
;
Wang, Yuankai
;
Wang, Zixuan
;
Wang, Jianbo
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  |  
浏览/下载:38/0
  |  
提交时间:2019/12/02
Representation of coupled adiabatic potential energy surfaces using neural network based quasi-diabatic Hamiltonians: 1,2 (2)A ' states of LiFH
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 26, 页码: 14205-14213
作者:
Guan, Yafu
;
Zhang, Dong H.
;
Guo, Hua
;
Yarkony, David R.
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  |  
浏览/下载:32/0
  |  
提交时间:2019/12/02
Heterogeneous Cross-Coupling over Gold Nanoclusters
期刊论文
NANOMATERIALS, 2019, 卷号: 9, 期号: 6, 页码: 17
作者:
Shi, Quanquan
;
Qin, Zhaoxian
;
Xu, Hui
;
Li, Gao
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  |  
浏览/下载:44/0
  |  
提交时间:2019/12/02
gold nanocluster
cross-coupling
Ullmann hetero-coupling
Sonogashira coupling
Suzuki coupling
A(3)-coupling
catalytic mechanism
ligand removal
Rhodium(III)-Catalyzed Enantioselective Coupling of Indoles and 7-Azabenzonorbornadienes by C-H Activation/Desymmetrization
期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2019, 卷号: 58, 期号: 1, 页码: 322-326
作者:
Li, Xingwei
;
Yang, Xifa
;
Zheng, Guangfan
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  |  
浏览/下载:45/0
  |  
提交时间:2019/06/20
C-H activation
desymmetrization
heterocycles
rhodium
synthetic methods
Rhodium(iii)-catalyzed enantioselective coupling of indoles and 7-azabenzonorbornadienes by c-h activation/desymmetrization
期刊论文
Angewandte chemie-international edition, 2019, 卷号: 58, 期号: 1, 页码: 322-326
作者:
Yang, Xifa
;
Zheng, Guangfan
;
Li, Xingwei
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  |  
浏览/下载:69/0
  |  
提交时间:2019/05/08
C-h activation
Desymmetrization
Heterocycles
Rhodium
Synthetic methods
Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials
期刊论文
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2018, 卷号: 74, 页码: 705-711
作者:
Cheng, Shi-Bo
;
Huang, Jin-Dou
;
Zhao, Jinfeng
;
Yu, Kun
;
Huang, Xiaohua
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2019/06/20
indeno[1,2-b] fluorene-6,12-dione-based molecules
intrinsic hole mobility
intrinsic electron mobility
electronic spectra
density functional theory (DFT)
structure-function relationship
Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials
期刊论文
Acta crystallographica section b-structural science crystal engineering and materials, 2018, 卷号: 74, 页码: 705-711
作者:
Huang, Jin-Dou
;
Zhao, Jinfeng
;
Yu, Kun
;
Huang, Xiaohua
;
Cheng, Shi-Bo
收藏
  |  
浏览/下载:64/0
  |  
提交时间:2019/05/08
Indeno[1,2-b] fluorene-6,12-dione-based molecules
Intrinsic hole mobility
Intrinsic electron mobility
Electronic spectra
Density functional theory (dft)
Structure-function relationship
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