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Active-learning search for unitcell structures: A case study on Mg3Bi2-xSbx 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 226, 页码: 112260./通讯作者：Peng, Q, Chen, XJ (corresponding author), Harbin Inst Technol, Sch Sci, Shenzhen 518055, Peoples R China., Wen, XD (corresponding author), Chinese Acad Sci, Inst Coal Chem, State Key Lab Coal Convers, Taiyuan 030001, Peoples R China.
Authors:  Peng Q(彭庆);  Yuan XZ(袁晓泽);  Zhao S(赵帅);  Zhou, Yuwei;  Wen, Xiaodong;  Chen, Xiaojia
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Crystal structure prediction  First -principles calculations  Mg-Bi-Sb alloy  Active learning strategy  Unitcell modeling  
Acoustic edge mode in spiral-based metamaterials at subwavelength scale 期刊论文
RESULTS IN PHYSICS, 2022, 卷号: 42, 页码: 106008./通讯作者：Chen, M, Jiang, H (corresponding author), Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Beijing 100190, Peoples R China.
Authors:  Yang T(杨洮);  Xiao BY(肖伯雅);  Feng YF(冯亚飞);  Pei DL(裴东亮);  Liu Y(刘宇);  Chen M(陈猛);  Jiang H(姜恒);  Zheng ZY(郑中玉);  Wang YR(王育人)
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Spiral structure  Subwavelength  Topological phononic crystal  
A density functional study of zinc oxide elastic properties under high pressure 会议论文
IUTAM Symposium on Surface Effects in the Mechanics of Nanomaterials and Heterostructures, 2010, Beijing, China, August 8, 2010 - August 12, 2010
Authors:  Wang BB;  Zhao YP(赵亚溥)
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Biosensors  Blending  Chemical vapor deposition  Crystal symmetry  Crystals  Density functional theory  Elastic constants  Elasticity  II  VI semiconductors  Lattice constants  Local density approximation  Nanocomposites  Nanostructured materials  Zinc sulfide  Chemical vapor depositions (CVD)  Density  functional study  Elastic properties  Environment pressure  Generalized gradient approximations  Longitudinal direction  Multi  scale simulation  Zinc blend structure  
The cytosolic GH loop regulates the phosphatidylinositol 4,5-bisphosphate-induced gating kinetics of Kir2 channels 期刊论文
JOURNAL OF BIOLOGICAL CHEMISTRY, 2012, 卷号: 287, 期号: 50, 页码: 42278-42287
Authors:  An HL;  Lv SQ(吕守芹);  Li JW;  Meng XY;  Zhan Y;  Cui M;  Long M(龙勉);  Zhang HL;  Logothetis DE;  Long, M;  Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Natl Micrograv Lab, Beijing 100190, Peoples R China.
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Rectifier K++ Channels  Beta-gamma-subunits  Potassium Channels  Crystal-structure  G-proteins  Structural Basis  Voltage-sensor  Pip2  Activation  Dynamics  
Theoretical study on novel nitrogen-rich energetic compounds of bis(amino)-azobis(azoles) with tetrazene unit 期刊论文
JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 期号: 10, 页码: 4687-4698
Authors:  Li ZM;  Ceng DD(曾丹丹);  Zhang JG;  Niu XQ;  Man TT;  Zhang SW;  Zhang TL;  Zhang, JG;  Beijing Inst Technol, State Key Lab Explos Sci & Technol, Beijing 100081, Peoples R China.
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Density Function Theory  Electronic Structures  Energetic Properties  Heats Of Formation  Stereoisomers  Thermal-decomposition Mechanism  Cobalt(Iii) Perchlorate Bncp  Sensitivity Properties  Coordination-compound  Detonation Properties  Primary Explosives  Crystal-structure  Salts  Derivatives  Thermolysis  
Appendant structure plays an important role in amyloidogenic cystatin dimerization prior to domain swapping 期刊论文
Journal of Biomolecular Structure & Dynamics, 2012, 卷号: 30, 期号: 1, 页码: 102-112
Authors:  Yu YY;  Liu X(刘鑫);  He JW;  Zhang MY;  Li H;  Wei DQ;  Song YT
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Chicken Cystatin  Conformational Disease  Cerebral-hemorrhage  Crystal-structure  Swiss-model  c Variant  Wild-type  Protein  Mutant  Environment  Molecular Dynamic Simulation  Domain Swapping  Appendant Structure  Amyloidosis  Hydrophobic Core  
Conformational Stability Analyses of Alpha Subunit I Domain of LFA-1 and Mac-1 期刊论文
PLOS One, 2011, 卷号: 6, 期号: 8, 页码: e24188
Authors:  Mao DB(毛德斌);  Lv SQ(吕守芹);  Li N(李宁);  Zhang Y(章燕);  Long M(龙勉);  Mao, DB (reprint author), Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Beijing 100080, Peoples R China
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A-domain  Molecular-dynamics  Structural Basis  Integrin Activation  Crystal-structure  Cell-adhesion  T-cell  Neutrophils  Affinity  Migration  
Synthesis and Characterization of (1-x)(Na(0.5)Bi(0.5))TiO(3)-xAl(6)Bi(2)O(12) Solid Solution 期刊论文
Ferroelectrics, 2011, 卷号: 413, 页码: 192-205
Authors:  Zhen Y;  Hall S;  Brown T;  Ekuma EC;  Bell Z;  Sun ZW(孙祉伟);  Wang JT;  Wang, JT (reprint author), So Univ, Dept Phys, Baton Rouge, LA 70813 USA
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(1-x)(Na(0.5)Bi(0.5))Tio(3)-xal(6)Bi(2)o(12) Solid soluTion  Dielectric  Ferroelectric  Piezoelectric  High-pressure Synthesis  Piezoelectric Properties  Ferroelectric Ceramics  Dielectric-properties  Electrical-properties  Magnetic-properties  Crystal-structure  Lead  Bicro3  
Rapid determination of colloidal crystal's structure by reflection spectrum 期刊论文
Colloids and Surfaces A-Physicochemical and Engineering Aspects, 2011, 卷号: 375, 期号: 1-3, 页码: 50-54
Authors:  Zhou HW(周宏伟);  Xu SH(徐升华);  Sun ZW(孙祉伟);  Du H(杜嬛);  Jie JC(解京昌);  Sun, ZW (reprint author), Chinese Acad Sci, Inst Mech, 15 Beisihuanxi Rd, Beijing 100190, Peoples R China
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Colloidal Crystal  Crystal Structure  Reflection Spectrum  Static Light Scattering  X-ray-scattering  Charged Colloids  Light-scattering  Silica Spheres  Phase-diagram  Dispersions  Suspensions  Crystallization  Spectroscopy  Transitions  
InAs0.3Sb0.7 films grown on (100) GaSb substrates with a buffer layer by liquid-phase epitaxy 期刊论文
Journal of Crystal Growth, 2007, 卷号: 304, 期号: 2, 页码: 472-475
Authors:  Gao FB;  Chen NF(陈诺夫);  Liu L;  Zhang XW;  Wu JL;  Yin ZG;  Gao, FB (reprint author), Chinese Acad Sci, Inst Semicond, Key Lab Semicond Mat Sci, PO Box 912, Beijing 100083, Peoples R China.
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Crystal Structure  Liquid-phase Epitaxy  Semiconducting Iii-v Materials  Molecular-beam Epitaxy  Transport-properties  Inas1-xsbx  Alloys  Inassb  Insb  Gap  Photoluminescence  Inasxsb1-x/gaas  Superlattices