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科研机构
北京大学 [219]
内容类型
期刊论文 [219]
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2017 [31]
2016 [18]
2015 [23]
2014 [14]
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2012 [13]
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内容类型:期刊论文
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
The youngest eclogite in central Himalaya: P-T path, U-Pb zircon age and its tectonic implication
期刊论文
GONDWANA RESEARCH, 2017
Wang, Yuhua
;
Zhang, Lifei
;
Zhang, Jinjiang
;
Wei, Chunjing
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2017/12/03
Eclogite
P-T path
Zircon U-Pb dating
Central Himalayan orogen
Southern Tibet
HIGH-PRESSURE GRANULITES
TIBETAN DETACHMENT SYSTEM
MINERAL EQUILIBRIA CALCULATIONS
OROGEN-PARALLEL EXTENSION
MOUNT EVEREST REGION
NORTH CHINA CRATON
TSO-MORARI REGION
SOUTHERN TIBET
KAGHAN VALLEY
CONTINENTAL SUBDUCTION
Metamorphic evolution and zircon ages of pelitic granulites in eastern Hebei, North China Craton: Insights into the regional Archean P-T-t history
期刊论文
PRECAMBRIAN RESEARCH, 2017
Duan, Zhanzhan
;
Wei, Chunjing
;
Rehman, Hafiz Ur
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2017/12/03
Pelitic granulite
Zircon dating
Metamorphic P-T path
Eastern Hebei
North China Craton
MINERAL EQUILIBRIA CALCULATIONS
PARTIAL MELTING EQUILIBRIA
U-PB
PHASE-EQUILIBRIA
HF ISOTOPES
SYSTEM K2O-FEO-MGO-AL2O3-SIO2-H2O-TIO2-FE2O3
NEOARCHEAN SUBDUCTION
TECTONIC IMPLICATIONS
HORIZONTAL TECTONISM
FACIES METAMORPHISM
Petrogenetic simulation of the Archean trondhjemite from Eastern Hebei, China
期刊论文
SCIENCE CHINA-EARTH SCIENCES, 2017
Zhang ShiWei
;
Wei ChunJing
;
Duan ZhanZhan
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
Trondhjemite
TTG gneiss
Anatexis
Phase equilibria modelling
Eastern Hebei
MINERAL EQUILIBRIA CALCULATIONS
SYSTEM K2O-FEO-MGO-AL2O3-SIO2-H2O-TIO2-FE2O3
CONTINENTAL GROWTH
THERMAL EVOLUTION
GRANULITE-FACIES
MORB GLASSES
HF ISOTOPES
10 KBAR
CRATON
GEOCHEMISTRY
On the shuttling mechanism of a chlorine atom in a chloroaluminum phthalocyanine based molecular switch
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017
Song, Huanjun
;
Fu, Cenfeng
;
Li, Na
;
Zhu, Hao
;
Peng, Zhantao
;
Zhao, Wenhui
;
Dai, Jingxin
;
Xing, Lingbo
;
Huang, Zhichao
;
Chen, Wei
;
Wang, Yongfeng
;
Yang, Jinlong
;
Wu, Kai
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2017/12/03
SCANNING-TUNNELING-MICROSCOPY
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
SINGLE-MOLECULE
ADSORBED PHTHALOCYANINE
CYCLIC CARBONATES
BASIS-SET
CONDUCTANCE
MANIPULATION
ADSORPTION
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
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
Carbanion Translocations via Intramolecular Proton Transfers: A Quantum Chemical Study
期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2017
Wang, Yi
;
Cai, Pei-Jun
;
Yu, Zhi-Xiang
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
GAUSSIAN-BASIS SETS
TRANSITION-STATE METHOD
CORRELATED MOLECULAR CALCULATIONS
CATALYZED 3+2 CYCLOADDITION
COUPLED ELECTRON-TRANSFER
ALPHA-AMINO NITRILES
NATURAL ORBITALS
GAS-PHASE
THEORETICAL-ANALYSIS
TAXADIENE SYNTHASE
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
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