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科研机构
北京大学 [14]
大连化学物理研究所 [11]
力学研究所 [9]
武汉物理与数学研究所 [8]
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期刊论文 [100]
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2017 [102]
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Steering on-surface reactions with self-assembly strategy
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 47, 页码: 31531-31539
作者:
Zhou, Xiong
;
Dai, Jingxin
;
Wu, Kai
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浏览/下载:11/0
  |  
提交时间:2019/04/09
Composition of dissolved organic matter (DOM) from periodically submerged soils in the Three Gorges Reservoir areas as determined by elemental and optical analysis, infrared spectroscopy, pyrolysis-GC-MS and thermally assisted hydrolysis and methylation
期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2017, 卷号: 603, 页码: 461-471
作者:
Jiang, Tao
;
Kaal, Joeri
;
Liang, Jian
;
Zhang, Yaoling
;
Wei, Shiqiang
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  |  
浏览/下载:214/0
  |  
提交时间:2018/06/20
Soil
Dissolved Organic Matter
Water-soluble Organic Matter
Three Gorges Reservoir
Characterization
Natural Organic Matter
DOM from periodically submerged soils in the Three Gorges Reservoir areas as determined by elemental and optical analysis
期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2017, 卷号: 603, 页码: 461-471
作者:
Jiang, Tao
;
Kaal, Joeri
;
Liang, Jian
;
Zhang, Yaoling
;
Wei, Shiqiang
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2022/03/29
Reconsideration on Hydration of Sodium Ion: From Micro-Hydration to Bulk Hydration
期刊论文
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 91, 期号: 13, 页码: 2539-2547
作者:
Zhou Yongquan
;
Fang Chunhui
;
Fang Yan
;
Zhu Fayan
;
Ge Haiwen
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  |  
浏览/下载:26/0
  |  
提交时间:2018/06/20
Sodium Ion
Dft
Cpmd
Micro Hydration
Rdf
Discrete simulation of granular and particle-fluid flows: from fundamental study to engineering application
期刊论文
REVIEWS IN CHEMICAL ENGINEERING, 2017, 卷号: 33, 期号: 6, 页码: 551-623
作者:
Ge, Wei
;
Wang, Limin
;
Xu, Ji
;
Chen, Feiguo
;
Zhou, Guangzheng
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  |  
浏览/下载:46/0
  |  
提交时间:2018/01/19
Coarse-graining
Discrete Element Method (Dem)
Discrete Particle Method (Dpm)
Energy-minimization Multiscale (Emms) Model
Fluid-solid Interaction
Granular Flow
Heterogeneous Computing
High-performance Computing (Hpc)
Mesoscale
Multiphase Flow
Multiscale
Nonspherical Particle
Particle-fluid Flow
Particle-in-cell (Pic)
Pseudo-particle Modeling (Ppm)
Smoothed Particle Hydrodynamics (Sph)
Supercomputing Virtual Process Engineering (Vpe)
Conformation and dynamics of the C-terminal region in human phosphoglycerate mutase 1
期刊论文
ACTA PHARMACOLOGICA SINICA, 2017, 卷号: 38, 期号: 12, 页码: 1673-1682
作者:
Liu, Shi-en
;
Hu, Jun-chi
;
Zhang, Hao
;
Xu, Pan
;
Wan, Wei
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  |  
浏览/下载:19/0
  |  
提交时间:2019/01/08
phosphoglycerate mutase 1 (PGAM1)
human cancers
metabolic target
C-terminal region
conformational changes
molecular dynamics simulation
ICON-MIC: Implementing a CPU/MIC Collaboration Parallel Framework for ICON on Tianhe-2 Supercomputer
期刊论文
JOURNAL OF COMPUTATIONAL BIOLOGY, 2017, 页码: 12
作者:
Wang, Zihao
;
Chen, Yu
;
Zhang, Jingrong
;
Li, Lun
;
Wan, Xiaohua
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  |  
浏览/下载:34/0
  |  
提交时间:2019/12/10
electron tomography
hybrid task allocation strategy
ICON
MIC acceleration
parallel NUFFT
Tianhe-2 supercomputer
Concerted Mechanisms of Excited-State Proton Intramolecular Transfer for Bis-2,4-(2-benzoxazolyl)-hydroquinone and Its Derivatives
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 43, 页码: 8217-8226
作者:
Yang, Chuanlu
;
Ma, Xiaoguang
;
Bao, Dongshuai
;
Wang, Meishan
;
Yang, Yunfan
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2017/12/19
Concerted Mechanisms of Excited-State Proton Intramolecular Transfer for Bis-2,4-(2-benzoxazolyl)-hydroquinone and Its Derivatives
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 43, 页码: 8217-8226
作者:
Yang, Chuanlu
;
Wang, Meishan
;
Bao, Dongshuai
;
Ma, Xiaoguang
;
Yang, Yunfan
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2017/12/19
A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11
作者:
Yang, Dapeng
;
Yang, Guang
;
Zhao, Jinfeng
;
Zheng, Rui
;
Wang, Yusheng
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  |  
浏览/下载:30/0
  |  
提交时间:2017/12/20
AIM
ESIPT
IR vibrational spectra
MOs
potential energy curves
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