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Caging-Pnictogen-Induced Superconductivity in Skutterudites IrX3(X = As, P)
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2022, 卷号: 144, 期号: 14, 页码: 6208-6214
作者:
Pei, Cuiying
;
Ying, Tianping
;
Zhang, Qinghua
;
Wu, Xianxin
;
Yu, Tongxu
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2023/01/16
MAGNETIC-PROPERTIES
TRANSITION-TEMPERATURE
HO
LN
Structural evolutionary process and interrelation for FeSiBNbCuMo nanocrystalline alloy
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 卷号: 821
作者:
Xiao, Huiyun
;
Wang, Anding
;
Li, Jiawei
;
He, Aina
;
Liu, Tao
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  |  
浏览/下载:66/0
  |  
提交时间:2020/12/16
SOFT-MAGNETIC PROPERTIES
ATOM-PROBE
CRYSTALLIZATION BEHAVIOR
SURFACE CRYSTALLIZATION
SIGNIFICANT IMPROVEMENT
AMORPHOUS-ALLOYS
METALLIC GLASSES
FE
PERFORMANCE
COERCIVITY
A scalable polymer-free method for transferring graphene onto arbitrary surfaces
期刊论文
CARBON, 2020, 卷号: 161, 页码: 479-485
作者:
Zhang, Xuewei
;
Xu, Chen
;
Zou, Zhenxing
;
Wu, Zehao
;
Yin, Shaoqian
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  |  
浏览/下载:11/0
  |  
提交时间:2020/12/16
SINGLE-CRYSTAL GRAPHENE
WAFER-SCALE GRAPHENE
LARGE-AREA
HIGH-QUALITY
LAYER GRAPHENE
FILMS
GROWTH
Copper catalyzed one-pot synthesis of beta-ketophosphine oxides from ketones and H-phosphine oxides
期刊论文
TETRAHEDRON LETTERS, 2017, 卷号: 58, 期号: 25, 页码: 2417-2420
作者:
Wei, W (reprint author), Qufu Normal Univ, Sch Chem & Chem Engn, Qufu 273165, Shandong, Peoples R China.
;
Du, FT (reprint author), Chinese Acad Sci, Chengdu Inst Biol, Chengdu 610041, Peoples R China.
;
Wei, W
;
Ji, JX
;
Du, FT
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浏览/下载:24/0
  |  
提交时间:2018/08/28
Copper-catalysis
One-pot Procedure
Beta-ketophosphine Oxides
Ketones
Vinylhydrazinedicarboxylates
Ru-55 nanoparticles catalyze the dissociation of H2O monomer and dimer to produce hydrogen: A comparative DFT study
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2016, 卷号: 41, 期号: 6, 页码: 3844-3853
作者:
Cheng, Ping
;
Yang, Yongpeng
;
Ahmad, Nouman
;
Zhang, Shengli
;
Huang, Shiping
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  |  
浏览/下载:35/0
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提交时间:2016/04/22
Ru-55 nanoparticle
Dissociation of H2O
H2O dimer
DFT calculation
Mechanism of pyrophosphate ion release in T7 RNA polymerase revealed by free energy simulations
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1094, 页码: 127-132
作者:
Wu, SG
;
Jiang, MQ
;
Liu, L
;
Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.
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浏览/下载:17/0
  |  
提交时间:2017/10/13
Molecular Dynamics Simulation
T7 Rna Polymerase
Ppi Release
Potential Of Mean Force
Communication: Probing the existence of partially arrested states in ionic liquids
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 145, 期号: 19, 页码: 191101
作者:
Ramirez-Gonzalez, PE
;
Sanchez-Diaz, LE
;
Medina-Noyola, M
;
Wang, YT
;
Ramirez-Gonzalez, PE (reprint author), Univ Autonoma San Luis Potosi, CONACYT Inst Fis Manuel Sandoval Vallarta, Alvaro Obregon 64, San Luis Potosi 78000, Slp, Mexico.
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浏览/下载:28/0
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提交时间:2017/10/13
Free Energy Calculation for Base Pair Dissociation in a DNA Duplex
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 5, 页码: 1282-1288
作者:
Wu, SG
;
Wu, SG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
;
Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.
;
Feng, D
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  |  
浏览/下载:13/0
  |  
提交时间:2017/10/13
Potential Of Mean Force
Hydrogen Bond
Molecular Dynamics Simulation
Umbrella Sampling
Communication: Probing the existence of partially arrested states in ionic liquids
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 145, 期号: 19, 页码: 191101
作者:
Ramirez-Gonzalez, PE
;
Sanchez-Diaz, LE
;
Medina-Noyola, M
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/04/08
MOLECULAR-DYNAMICS
GLASS-TRANSITION
1-ALKYL-3-METHYLIMIDAZOLIUM CATIONS
FORCE-FIELD
TEMPERATURE
SIMULATION
THERMODYNAMICS
VISCOSITY
Free Energy Calculation for Base Pair Dissociation in a DNA Duplex
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 5, 页码: 1282-1288
作者:
Wu, SG
;
Feng, D
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/04/08
Potential of mean force
MOLECULAR-DYNAMICS SIMULATIONS
Hydrogen bond
PARTICLE MESH EWALD
Molecular dynamics simulation
NUCLEIC-ACIDS
Umbrella sampling
FORCE-FIELD
RNA
TRIPHOSPHATE
MECHANICS
GROMACS
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