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武汉物理与数学研究... [17]
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期刊论文 [17]
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2018 [2]
2016 [2]
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专题:武汉物理与数学研究所
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Beyond the Roles in Biomimetic Chemistry: An Insight into the Intrinsic Catalytic Activity of an Enzyme for Tumor-Selective Phototheranostics
期刊论文
ACS NANO, 2018, 卷号: 12, 期号: 12, 页码: 12169-12180
作者:
Zhang, Bingbo
;
Zhou, Xin
;
Chen, Shizhen
;
Yao, Defan
;
Shi, Yuxin
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2019/06/24
biomimetic synthesis
protein activity
catalytic nanomedicine
MR/PA imaging
photothermal therapy
Diverse trends of electron correlation effects for properties with different radial and angular factors in an atomic system: a case study in Ca+
期刊论文
Journal of Physics B: Atomic, Molecular and Optical Physics, 2018, 卷号: 51, 期号: 5
作者:
Kumar,Pradeep
;
Li,Cheng-Bin
;
Sahoo,B K
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2018/11/05
electron correlation effects
relativistic theory
atomic many-body methods
precision spectroscopy
31.15.A-
31.15.B-
31.15.V-
31.30.Gs
Theoretical studies of three-dimensional potential energy surfaces using neural networks and rotational spectra of the Ar-N-2 complex
期刊论文
MOLECULAR PHYSICS, 2016, 卷号: 114, 期号: 1, 页码: 72-82
作者:
Fu, Hong
;
Zheng, Rui
;
Zheng, Limin
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  |  
浏览/下载:15/0
  |  
提交时间:2016/02/01
Ar-N-2
potential energy surface
neural networks
bound-state calculations
spectroscopic parameters
Rotational spectra of the Ne-N-2 complex based on a new three-dimensional potential energy surface using neural networks
期刊论文
JOURNAL OF MOLECULAR SPECTROSCOPY, 2016, 卷号: 319, 页码: 39-46
作者:
Fu, Hong
;
Zheng, Rui
;
Zheng, Limin
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2016/04/18
Ne-N-2
Potential energy surface
Neural networks
Bound state calculations
Spectroscopic parameters
Photoinduced excited state intramolecular proton transfer of 2-(2 '-hydroxyphenyl)phenanthro[9,10-d]oxazole: A comprehensive theoretical study
期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2014, 卷号: 294, 页码: 14-19
作者:
Wang, Li
;
Zhang, Yanxin
;
Li, Yuanyuan
;
He, Hongqing
;
Zhang, Jinglai
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2015/06/24
Excited state intramolecular proton transfer
Ab initio
Tautomerization
Surface crossing
Theoretical studies of ground and excited states in a series of Zn(II) complexes, derived from thiourea and thiosemicarbazide
期刊论文
EUROPEAN PHYSICAL JOURNAL D, 2014, 卷号: 68, 期号: 2
作者:
Zhang, Yanxin
;
Yu, Xiaohan
;
He, Hongqing
;
Zhang, Jinglai
;
Wang, Li
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2015/06/24
The reasons for ligand-dependent quantum yields and spectroscopic properties of platinum(II) complexes based on tetradentate (ONCN)-N-boolean AND-C-boolean AND-N-boolean AND ligands: a DFT and TD-DFT study
期刊论文
DALTON TRANSACTIONS, 2014, 卷号: 43, 期号: 7, 页码: 2849-2858
作者:
Wang, Li
;
Wen, Jinmiao
;
He, Hongqing
;
Zhang, Jinglai
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  |  
浏览/下载:16/0
  |  
提交时间:2015/06/24
Substituent effects on electronic structure and spectral property of Zn(II) complexes based on the OONX ligands: DFT and TDDFT theoretical studies
期刊论文
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 2014, 卷号: 192, 页码: 7-12
作者:
Yu, Xiaohan
;
Zhang, Yanxin
;
Zhang, Jinglai
;
He, Hongqing
;
Wang, Li
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2015/06/24
Zn(II) complexes
Spectroscopy
Substituent effect
Influence of primary and auxiliary ligand on spectroscopic properties and luminescent efficiency of organoplatinum(II) complexes bearing functionalized cyclometalated (CNC)-N-boolean AND-C-boolean AND ligands
期刊论文
DALTON TRANSACTIONS, 2014, 卷号: 43, 期号: 37, 页码: 14029-14038
作者:
Wang, Li
;
Zhang, Yanxin
;
Li, Jieqiong
;
He, Hongqing
;
Zhang, Jinglai
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2015/06/24
Effect of primary and secondary ligands on electronic structures and spectra of a series of nickel (II) complexes: a density functional theory study
期刊论文
EUROPEAN PHYSICAL JOURNAL D, 2013, 卷号: 67, 期号: 11
作者:
Wang, Li
;
Guo, Jia
;
Wen, Jinmiao
;
He, Hongqing
;
Zhang, Jinglai
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2015/06/23
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