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北京大学 [8]
兰州理工大学 [2]
高能物理研究所 [2]
西安交通大学 [1]
北京航空航天大学 [1]
化学研究所 [1]
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期刊论文 [22]
会议论文 [1]
发表日期
2017 [23]
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Structural and Electronic Properties of ConC3-/0 and ConC4-/0(n=1-4) Clusters: Mass-Selected Anion Photoelectron Spectroscopy and Density Functional Theory Calculations
期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 717-726
作者:
Xu, Xi-ling
收藏
  |  
浏览/下载:68/0
  |  
提交时间:2019/06/20
Photoelectron Spectroscopy
Transition Metal Carbide
Structural Evolution
Density Functional Calculations
Structural and Electronic Properties of ConC3-/0 and ConC4-/0(n=1-4) Clusters: Mass-Selected Anion Photoelectron Spectroscopy and Density Functional Theory Calculations
期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 717-726
作者:
Xu, Xi-ling
;
Yuan, Jin-yun
;
Yang, Bin
;
Xu, Hong-guang
;
Zheng, Wei-jun
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/04/09
Photoelectron Spectroscopy
Transition Metal Carbide
Structural Evolution
Density Functional Calculations
Effect of structural phase transformations under pressure on electronic and optical properties of CuInS2
期刊论文
Current Applied Physics, 2017, 卷号: 17, 期号: 11, 页码: 1564-1569
作者:
Gao, Bo
;
Xue, Hong-Tao
;
Tang, Fu-Ling
;
Cheng, Yu-Wen
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2022/02/17
Calculations
Copper compounds
Electronic properties
Energy gap
Free energy
Gibbs free energy
Growth rate
High pressure engineering
Indium compounds
Light absorption
Optical materials
Phase transitions
Structural properties
CuInS2
Electronic and optical properties
Experimental values
First-principles calculation
Plane wave calculations
Semiconductor compounds
Structural phase transformations
Structural phase transition
Effect of structural phase transformations under pressure on electronic and optical properties of CuInS2
期刊论文
CURRENT APPLIED PHYSICS, 2017, 卷号: 17, 期号: 11, 页码: 1564-1569
作者:
Gao, Bo
;
Xue, Hong-Tao
;
Tang, Fu-Ling
;
Cheng, Yu-Wen
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  |  
浏览/下载:0/0
  |  
提交时间:2019/11/15
CuInS2
First-principles calculation
Pressure-induced structural phase transition
Electronic properties
Optical absorption spectra
Cyanobacterial peptides as a prototype for the design of cathepsin D inhibitors
期刊论文
JOURNAL OF PEPTIDE SCIENCE, 2017, 卷号: 23, 期号: 9, 页码: 701-706
作者:
Xu, Hao
;
Bao, Keting
;
Tang, Shuai
;
Ai, Jing
;
Hu, Haiyan
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  |  
浏览/下载:26/0
  |  
提交时间:2019/01/08
cathepsin D
inhibitor
peptides
structural modification
transition-state mimics
Bi-centric view of the isostructural phase transitions in alpha-bi2se3 and alpha-bi2te3
期刊论文
Physica status solidi b-basic solid state physics, 2017, 卷号: 254, 期号: 7, 页码: 7
作者:
Zhu, Hailiang
;
Dong, Juncai
;
Li, Pengshan
;
Wang, Yan
;
Guo, Zhiying
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  |  
浏览/下载:47/0
  |  
提交时间:2019/04/23
Bi2se3
Bi2te
Charge redistribution
Isostructural phase transition
Pressure
Structural disorder
Bi-centric view of the isostructural phase transitions in alpha-Bi2Se3 and alpha-Bi2Te3
期刊论文
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2017, 卷号: 254, 期号: 7, 页码: 1700007
作者:
An PF(安鹏飞)
;
Gong Y(宫宇)
;
Zhang J(张静)
;
Chen DL(陈栋梁)
;
Zhu, HL
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  |  
浏览/下载:20/0
  |  
提交时间:2019/08/27
Bi2Se3
Bi2Te
charge redistribution
isostructural phase transition
pressure
structural disorder
Cyanobacterial peptides as a prototype for the design of cathepsin D inhibitors
期刊论文
JOURNAL OF PEPTIDE SCIENCE, 2017, 卷号: 23, 期号: 9
作者:
Xu, Hao
;
Bao, Keting
;
Tang, Shuai
;
Ai, Jing
;
Hu, Haiyan
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/05
cathepsin D
inhibitor
peptides
structural modification
transition-state mimics
T7 RNA polymerase translocation is facilitated by a helix opening on the fingers domain that may also prevent backtracking
期刊论文
NUCLEIC ACIDS RESEARCH, 2017
Da, Lin-Tai
;
E, Chao
;
Shuai, Yao
;
Wu, Shaogui
;
Su, Xiao-Dong
;
Yu, Jin
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
MARKOV STATE MODELS
MOLECULAR-DYNAMICS
STRUCTURAL BASIS
CONFORMATIONAL DYNAMICS
ELONGATION COMPLEXES
GENOME INSTABILITY
TRANSCRIPTION
TRANSITION
SIMULATIONS
INITIATION
Sharp and strong "Brill transition" of poly(hexamethylene dithiocarbonate)
期刊论文
POLYMER, 2017
Zhao, Ti-Peng
;
Celli, Annamaria
;
Ren, Xiang-Kui
;
Xu, Jia-Ru
;
Yang, Shuang
;
Liu, Chen-Yang
;
Chen, Er-Qiang
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
Brill transition
Crystal-crystal transition
Conformational transformation
WEIGHT ALIPHATIC POLYCARBONATES
FOLDED LAMELLAR CRYSTALS
X-RAY
MOLECULAR-DYNAMICS
DIMETHYL CARBONATE
THERMAL-PROPERTIES
STRUCTURAL-CHANGE
NYLON 10/10
TEMPERATURE
PHASE
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