结构化学

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结构化学

ISSN 0254-5861 CN35-1112/TQ

当期目录---2011, Vol.30 No.5 发布日期：2011-05-15

本期栏目
CONTENTS

CONTENTS

Theory Studies on the Intermolecular Interactions of Urea Nitrate with RDX

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杜拴丽张文艳曹端林侯素青任福德

2011 Vol. 30 (5): 616-621

DOI:

Ultra-incompressible Ternary Diborides Re_0.5Ir_0.5B₂, Re_0.5Tc_0.5B₂, Os_0.5W_0.5B₂and Os_0.5Ru_0.5B₂：Density Functional Calculation

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林霏;吴克琛;和建刚;洒荣建;李巧红;韦永勤

2011 Vol. 30 (5): 622-629

DOI:

Toxicity Measurement of Halogeno-benzene against Vibrio Qinghaiensis (Q67) and Their 2D,3D-QSAR Study

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葛志刚;孙萍;柳红霞;刘辉

2011 Vol. 30 (5): 630-637

DOI:

Electronic and Optical Properties of Monoclinic and Rhombohedral Vanadium Sesquioxide

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刘光华;邓小燕;王春海

2011 Vol. 30 (5): 638-643

DOI:

Synthesis and Crystal Structure of a Cadmium(II) Coordination Polymer: [Cd₂Cl₄(bpme)]n·n(2H₂O)

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李超柱;黄学仁;张淑华;李家明;蒋毅民

2011 Vol. 30 (5): 644-647

DOI:

An Orthorhombic Polymorph of Lanthanum Ultraphosphate LaP5O14:Synthesis, Structure and Density Functional Study

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朱静;陈晖;王毓德;张硕;程文旦;管洪涛

2011 Vol. 30 (5): 648-653

DOI:

Synthesis and Crystal Structure of a Novel 2-Fold Interpenetrating Three-dimensional Coordination Polymer, {[Co₃(byip)₂(bix)₃(H₂O)₂]·H₂O}_n

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王子梁;李明雪;赵俊伟;王敬平

2011 Vol. 30 (5): 654-659

DOI:

A New One-dimensional Aluminium Fluorophosphate Templated by Organic Amine

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刘广臻;李晓玲;辛凌云;王利亚

2011 Vol. 30 (5): 660-665

DOI:

DFT Studies on Thermal Stabilities, Electronic Structures, and 13C Chemical Shifts of C₂₄O₂ Based on Fullerene C₂₄(D₆)

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王振;张静

2011 Vol. 30 (5): 666-671

DOI:

_{Hydrothermal Synthesis, Crystal Structure and Photoluminescence of [Sm(PCA)₃(H₂O)₂]_n6nH₂O}

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陈文通;魏坤宇

2011 Vol. 30 (5): 672-677

DOI:

Synthesis, Crystal Structure and Properties of Inorganic-organic Hybrid M(II)–Nb(V) (M = Co, Cu) Oxyfluorides

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胡冰;李建荣;黄小荥

2011 Vol. 30 (5): 678-684

DOI:

A novel 3D sivler-triazolate coordination polymer with 6.102 topology: synthesis, crystal structure and phosphorescence

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吴冬;夏冰;杨飞龙;翁林红;周亚明

2011 Vol. 30 (5): 685-689

DOI:

Synthesis and Crystal Structure of an Unusual Dodecacoordinated Lanthanum Complex by Phenanthroline and Nitrate (phenH)₂[La(NO₃)₅(phen)]×CH₃OH

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邓玉恒;高国然;刘娟;刘灏

2011 Vol. 30 (5): 690-696

DOI:

Theoretical Study and NBO Analysis of the Decomposition Kinetics of Oxetane, 2-Methyloxetane and 2,2-Dimethyloxetane

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AbolfazlShiroudi

2011 Vol. 30 (5): 697-705

DOI:

Theoretical Study on the Inclusion Complex of β-Cyclodextrin and Nitrobenzene

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解菊;殷亚星;金国莲;何茂霞;刁国旺

2011 Vol. 30 (5): 706-716

DOI:

Synthesis, Crystal Structure and Antitumor Activity of 6,7,8-Trimethoxy-1-(4-methoxy-3-nitrophenyl)-4- (pyridin-4-ylmethyl)-3,4-dihydroisoquinoline

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朱雯雯;宋云龙;郑灿辉;吕加国;陈军;黄晶晶;周有骏;朱驹

2011 Vol. 30 (5): 717-723

DOI:

Syntheses, Crystal Structures, and Antimicrobial Activities of 3-Bromo-N'-(2-chloro-5-nitrobenzylidene)benzohydrazide and 3-Bromo-N'-(4-nitrobenzylidene)benzohydrazide

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朱海云

2011 Vol. 30 (5): 724-730

DOI:

4-Amino-3-(p-chlorophenyl)-5- (p-methoxybenzyl)-4H-1,2,4-triazole: X-ray and DFT-calculated Structures

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onur sahin;cihan kantar;olcay bekircan;selami &#;a&#;maz;orhan büyükgüngör

2011 Vol. 30 (5): 731-737

DOI:

A new route to synthesis of barium carbonate crystals by the induction of bacillus pasteurii

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王丽娜;霍冀川;刘树信;雷永林

2011 Vol. 30 (5): 738-742

DOI:

Hydrothermal Synthesis and Crystal Structure of a 2D Zinc(II) Coordination Polymer with 2-Aminoethanesulfonic Acid

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蔡金华;钟凡;蒋毅民

2011 Vol. 30 (5): 743-747

DOI:

Theoretical Study on the Potential Energy Curve and Vibration-rotation Spectra of BeF Radical

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朱遵略;寇素华;张小妞

2011 Vol. 30 (5): 748-756

DOI:

Syntheses and Characterization of Homochiral Three- dimensional Lanthanide-organic Frameworks Based on Ln₄O₄Clusters and L-Aspartic Acid

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李新发;刘天赋;高智席;江忠远

2011 Vol. 30 (5): 757-763

DOI:

Synthesis and Crystal Structure of a Novel Dinuclear Copper(Ⅱ) Complex Containing Benzimidazole Schiff Base Ligand

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刘家成;陈立伟;宋雪艳;洪慧琴;楚朝霞

2011 Vol. 30 (5): 764-767

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结构化学

月刊（1982年创刊）
主管单位：中国科学院
主办单位：中国化学会
　　　　　中国科学院福建物质结构研究所
（福州市闽侯上街高新区海西园,中国科学院海西研究院）
协办单位：北京大学
主　　编：洪茂椿
编辑出版单位：《结构化学》编委会、编辑部

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