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厦门大学 [12]
长春应用化学研究所 [7]
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期刊论文 [37]
发表日期
2013 [37]
学科主题
Chemistry [1]
chemistry [1]
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Tuning the electronic structures and related properties of Ruthenium-based dye sensitizers by ligands: A theoretical study and design
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2013, 卷号: 1017, 页码: 99-108
作者:
Zhang, Cai-Rong
;
Han, Li-Heng
;
Zhe, Jian-Wu
;
Jin, Neng-Zhi
;
Wang, Dao-Bin
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浏览/下载:6/0
  |  
提交时间:2019/11/15
Dye sensitizer
Ru-complexes
Electronic structure
Density functional theory
Absorption spectra
Synthesis, Characterization, Crystal Structure, and Biological Activities of Transition Metal Complexes with 1-Phenyl-3-methyl-5-hydroxypyrazole-4-methylene-8-quinolineimine
期刊论文
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2013, 卷号: 639, 期号: 5
-
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浏览/下载:3/0
  |  
提交时间:2014/12/05
Schiff bases
Metal complexes
Crystal structure
DNA binding
Antioxidants
Synthesis, formation mechanism, and dehydrogenation properties of the long-sought Mg(NH2BH3)(2) compound
期刊论文
Energy & Environmental Science, 2013, 卷号: 6, 期号: 3, 页码: 1018-1025
J. H. Luo
;
X. D. Kang
;
P. Wang
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  |  
浏览/下载:15/0
  |  
提交时间:2013/12/24
magnesium amidoborane complexes
hydrogen storage properties
ammonia-borane
thermal-decomposition
crystal-structure
release
lithium
hydride
b-11
nmr
Dinuclear Cu(II) 1,2,3-Triazole-Bridged Complex with Ferromagnetic Coupling
期刊论文
australian journal of chemistry, 2013
Bai, Shi-Qiang
;
Jiang, Lu
;
Zuo, Jing-Lin
;
Yan, Chun-Hua
;
Hor, T. S. Andy
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  |  
浏览/下载:3/0
  |  
提交时间:2015/11/16
MAGNETIC-PROPERTIES
COPPER(II) COMPLEXES
COORDINATION POLYMERS
CRYSTAL-STRUCTURES
MOLECULAR-STRUCTURE
TERMINAL ALKYNES
LIGANDS
COBALT(II)
AZIDES
CLICK
3d-4f Magnetic Interaction with Density Functional Theory Plus U Approach: Local Coulomb Correlation and Exchange Pathways
期刊论文
journal of physical chemistry a, 2013
Zhang, Yachao
;
Yang, Yang
;
Jiang, Hong
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浏览/下载:3/0
  |  
提交时间:2015/11/10
TRANSITION-METAL-COMPLEXES
TOTAL-ENERGY CALCULATIONS
SINGLE-MOLECULE-MAGNET
AB-INITIO CALCULATIONS
AUGMENTED-WAVE METHOD
COUPLING-CONSTANTS
ELECTRONIC-STRUCTURE
LDA+U METHOD
PBE0 MODEL
HUBBARD-U
Synthesis, crystal structures and intermolecular interactions of two Mn(II) complexes with 4,4 '-bipy and methyl benzoates
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2013, 卷号: 1035, 页码: 318-325
作者:
Wu Xin-Jian
;
Chen Yi-Ping
;
Xia Ze-Min
;
Ge Su-Zhi
;
Chai Feng
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  |  
浏览/下载:4/0
  |  
提交时间:2019/11/21
Methyl benzoic acid
Transition metal complexes
Crystal structure
2D IR correlation spectroscopy
Barium Dibenzopentalenide as a Main-Group Metal eta(8) Complex: Facile Synthesis from 1,4-Dilithio-1,3-butadienes and Ba[N(SiMe3)(2)](2), Structural Characterization, and Reaction Chemistry
期刊论文
angewandte chemie international edition, 2013
Li, Heng
;
Wei, Baosheng
;
Xu, Ling
;
Zhang, Wen-Xiong
;
Xi, Zhenfeng
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  |  
浏览/下载:3/0
  |  
提交时间:2015/11/11
barium
coordination modes
dibenzopentalene
pentalene
ALL-CIS-OCTATETRAENES
MOLECULAR-STRUCTURE
PENTALENE COMPLEXES
CYCLOPENTADIENE DERIVATIVES
ORGANOMETALLIC CHEMISTRY
SKELETAL REARRANGEMENT
SANDWICH COMPLEXES
AROMATIC SYSTEMS
DIANION
ACTIVATION
Further Understanding on the Measurement Methods for Solid-State Circular Dichroism Spectroscopy-Discussion on Concentration Effects
期刊论文
http://dx.doi.org/10.3866/PKU.WHXB201310152, 2013
Zhang Hui
;
Yan Jian-Xin
;
Wu Shu-Ting
;
Li Dan
;
Wan Shi-Gang
;
Ding Lei
;
Lin Li-Rong
;
章慧
;
林丽榕
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  |  
浏览/下载:2/0
  |  
提交时间:2015/07/22
ABSOLUTE-CONFIGURATION CORRELATIONS
MIRROR SYMMETRY-BREAKING
CHIRAL CRYSTAL-STRUCTURE
SCHIFF-BASE COMPLEXES
CD SPECTRA
SPONTANEOUS RESOLUTION
OPTICAL-ACTIVITY
STEREOCHEMISTRY
TRANSITION
NETWORKS
Solvent Effect and Hydrogen Bond Interaction on Tautomerism, Vibrational Frequencies, and Raman Spectra of Guanine: A Density Functional Theoretical Study
期刊论文
http://dx.doi.org/10.1021/jp401070m, 2013
Yu, Li-Juan
;
Pang, Ran
;
Tao, Sha
;
Yang, Hong-Tao
;
Wu, De-Yin
;
Tian, Zhong-Qun
;
吴德印
;
田中群
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  |  
浏览/下载:7/0
  |  
提交时间:2015/07/22
NUCLEIC-ACID CONSTITUENTS
MECHANICAL FORCE-FIELDS
D-SUBSTITUTED GUANINES
AB-INITIO
ALKYLATED DERIVATIVES
CRYSTAL-STRUCTURE
SILVER SURFACES
EXACT-EXCHANGE
SPECTROSCOPY
COMPLEXES
Two-Dimensional Iron(II) Networks - Guest-Dependent Structures and Spin-Crossover Behaviors
期刊论文
http://dx.doi.org/10.1002/ejic.201300211, 2013
Yang, Feng-Lei
;
Chen, Ming-Guang
;
Li, Xiu-Ling
;
Tao, Jun
;
Huang, Rong-Bin
;
Zheng, Lan-Sun
;
陶军
;
黄荣彬
;
郑兰荪
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
TRANSITION MOLECULAR MATERIALS
VALENCE TAUTOMERIC TRANSITIONS
MAGNETIC-PROPERTIES
CRYSTAL-STRUCTURE
SUPRAMOLECULAR ISOMERISM
COORDINATION POLYMERS
FRAMEWORK MATERIAL
PHASE-TRANSITIONS
SINGLE-CRYSTAL
COMPLEXES
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