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科研机构
北京大学 [223]
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期刊论文 [213]
其他 [9]
会议论文 [1]
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2017 [28]
2016 [31]
2015 [27]
2014 [18]
2013 [16]
2012 [25]
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专题:北京大学
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Spinel and post-spinel phase assemblages in Zn2TiO4: an experimental and theoretical study
期刊论文
PHYSICS AND CHEMISTRY OF MINERALS, 2017
Zhang, Yanyao
;
Liu, Xi
;
Shieh, Sean R.
;
Bao, Xinjian
;
Xie, Tianqi
;
Wang, Fei
;
Zhang, Zhigang
;
Prescher, Clemens
;
Prakapenka, Vitali B.
收藏
  |  
浏览/下载:45/0
  |  
提交时间:2017/12/03
Compressibility
DFT calculations
Diamond-anvil cell
High-P phase transition
Synchrotron X-ray diffraction
Zn2TiO4-CT
Zn2TiO4-Sp
EQUATION-OF-STATE
HIGH-PRESSURE PHASE
SYNTHETIC QANDILITE MG2TIO4
RAY-DIFFRACTION DATA
AMBIENT-TEMPERATURE
VOLUME MEASUREMENTS
MGSIO3 PEROVSKITE
SYSTEM ZNO-TIO2
MAGNESIUM-OXIDE
TRANSITION ZONE
Oxime-Based and Catalyst-Free Dynamic Covalent Polyurethanes
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2017
Liu, Wen-Xing
;
Zhang, Chi
;
Zhang, Huan
;
Zhao, Ning
;
Yu, Zhi-Xiang
;
Xu, Jian
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
CROSS-LINKED POLYMERS
BLOCKED ISOCYANATES
PHENYL ISOCYANATE
CLICK CHEMISTRY
NETWORKS
BONDS
TEMPERATURE
MECHANISM
SYSTEMS
PERFORMANCE
One-Dimensional Helical Metal Coordination Polymer: Synthesis and Structure of Infinite Chain of [Ag-7(S2CNEt2)(6)](n)(+) (as [SbF6](-) salt) Composed of Ag-6(S2CNEt2)(6) Cluster Units Linked by Ag(I) Ions via Peculiar Chelating S-S Bites
期刊论文
JOURNAL OF CLUSTER SCIENCE, 2017
Zhang, Du-Juan
;
Yang, Shi-Yao
;
Teo, Boon K.
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2017/12/03
Silver
N,N-diethyl-dithiocarbamate
Ag cluster
Helical metal coordination polymer
OCTAHEDRAL HEXASILVER(I) CLUSTER
CRYSTAL-STRUCTURE
MOLECULAR-STRUCTURE
DISELENOPHOSPHATE LIGANDS
ASSEMBLED MATERIALS
DFT CALCULATIONS
ORGANIC SPACERS
COMPLEXES
DIETHYLDITHIOCARBAMATE
TEMPLATE
Performance of TD-DFT for Excited States of Open-Shell Transition Metal Compounds
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017
Suo, Bingbing
;
Shen, Kaiyuan
;
Li, Zhendong
;
Liu, Wenjian
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2017/12/03
DENSITY-FUNCTIONAL THEORY
MULTIREFERENCE PERTURBATION-THEORY
GAUSSIAN-BASIS SETS
GENERALIZED-GRADIENT-APPROXIMATION
CORRELATED MOLECULAR CALCULATIONS
CONFIGURATION-INTERACTION METHOD
POTENTIAL-ENERGY SURFACES
MODEL-SPACE COEFFICIENTS
COUPLED-CLUSTER METHOD
ANO BASIS-SETS
Toward Bi3+ Red Luminescence with No Visible Reabsorption through Manageable Energy Interaction and Crystal Defect Modulation in Single Bi3+-Doped ZnWO4 Crystal
期刊论文
CHEMISTRY OF MATERIALS, 2017
Han, Jin
;
Li, Lejing
;
Peng, Mingying
;
Huang, Bolong
;
Pan, Fengjuan
;
Kang, Fengwen
;
Li, Liyi
;
Wang, Jing
;
Lei, Bingfu
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
PARTICLE-DIAGNOSIS APPROACH
DENSITY-FUNCTIONAL THEORY
LIGHT-EMITTING-DIODES
CONVERTED WHITE LEDS
TUNABLE EMISSION
PHOSPHOR
COLOR
BAND
MN2+
EU2+
Enhancing the reactivity of nickel(II) in hydrogen evolution reactions (HERs) by beta-hydrogenation of porphyrinoid ligands
期刊论文
CHEMICAL SCIENCE, 2017
Wu, Zhuo-Yan
;
Wang, Teng
;
Meng, Yin-Shan
;
Rao, Yu
;
Wang, Bing-Wu
;
Zheng, Jie
;
Gao, Song
;
Zhang, Jun-Long
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
COUPLED ELECTRON-TRANSFER
HOMOGENEOUS ELECTROCATALYSTS
RECENT PROGRESS
COMPLEXES
SPECTROSCOPY
REDUCTION
OCTAETHYLISOBACTERIOCHLORIN
METHANOBACTERIUM
HYDROPORPHYRINS
TETRAPYRROLES
Rhodium(I)-Catalyzed Bridged [5+2] Cycloaddition of cis-Allene-vinylcyclopropanes to Synthesize the Bicyclo[4.3.1]decane Skeleton
期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2017
Liu, Cheng-Hang
;
Yu, Zhi-Xiang
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
allenes
cycloaddition
density-functional calculations
rhodium
small ring compounds
CATALYZED INTERMOLECULAR 5+2
ASYMMETRIC TOTAL-SYNTHESIS
NATURAL-PRODUCT SYNTHESIS
DIELS-ALDER REACTION
ENE-VINYLCYCLOPROPANES
VINYL AZIRIDINES
7-MEMBERED RINGS
ALKYNES
METAL
STEREOCHEMISTRY
Carbon induced selective regulation of cobalt-based Fischer-Tropsch catalysts by ethylene treatment
期刊论文
FARADAY DISCUSSIONS, 2017
Zhai, Peng
;
Chen, Pei-Pei
;
Xie, Jinglin
;
Liu, Jin-Xun
;
Zhao, Huabo
;
Lin, Lili
;
Zhao, Bo
;
Su, Hai-Yan
;
Zhu, Qingjun
;
Li, Wei-Xue
;
Ma, Ding
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2017/12/03
DENSITY-FUNCTIONAL THEORY
PARTICLE-SIZE
REALISTIC CONDITIONS
FCC-CO(111) SURFACE
NANOPARTICLES
GRAPHENE
DEACTIVATION
DEPOSITION
SYNGAS
PHASE
Theoretical Investigation of Ta2O5, TaON, and Ta3N5: Electronic Band Structures and Absolute Band Edges
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017
Cui, Zhi-Hao
;
Jiang, Hong
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
VISIBLE-LIGHT IRRADIATION
DENSITY-FUNCTIONAL THEORY
BODY PERTURBATION-THEORY
TANTALUM OXYNITRIDE
(OXY)NITRIDE PHOTOCATALYSTS
DERIVATIVE DISCONTINUITIES
NEUTRON-DIFFRACTION
ENERGY CALCULATIONS
OPTICAL-PROPERTIES
CRYSTAL-STRUCTURE
Metal Complexes Based on 2-[5-(3,5-Dibromophenyl)-2H-1,2,4triazol-3-yl] pyridine and Their Composites with CH3NH3PbI3: Structures, Band Gaps, and Enhanced Optoelectronic Properties
期刊论文
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2017
Yan, Zhi Shuo
;
Gong, Yun
;
Lin, Jian Hua
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
HYDROGEN EVOLUTION REACTION
PEROVSKITE SOLAR-CELLS
COORDINATION POLYMER
ORGANIC FRAMEWORK
OPTICAL-PROPERTIES
PHOTOCATALYSTS
LIGAND
WATER
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