Chinese Journal of Structural Chemistry 2010 Issue 3 dft study of thiophene adsorption on the pd(111)and pt(111)surfaces

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Chinese Journal of Structural Chemistry
0254-5861
2010 Issue 3

dft study of thiophene adsorption on the pd(111)and pt(111)surfaces
CHEN Zhan-Hong;DING Kai-Ning;XU Xiang-Lan;LI Jun-Qian

..............page:365-376

density functional theory studies on the intermolecular interactions of five aza-calix [6] arene host with hmx
CAO Duan-Lin;ZHANG Wen-Yan;PEN Fu-De;HOU Su-Qing

..............page:377-384

theoretical study of the reactivity of mn~+ with cs_2
YU Shi-Wen;LI Tao-Hong;LIN Xue-Fei;YANG Si-Ya;SUN Cheng-Ke;XIE Xiao-Guang

..............page:385-394

synthesis and crystal structure of a new supramolecular compound constructed from flexible 1,1\'-(1,4-butanediyl)bis(imidazole)and 1,2,4,5-benzenetetracarboxylic acid
JIANG Kai;MEI Xue-Lan;LI Yan-Ge;YAO Jing-Cai

..............page:395-399

comparison of mechanisms of n-nitrosation and n-nitration of ammonia and dimethylamine by reactive nitrogen oxygen species: a theoretical study
LIU Yong-Dong;ZHONG Ru-Gang

..............page:421-431

synthesis, crystal structure and conformational analysis of(e)-5-methoxy-2-((4-methoxyphenylimino)methyl)phenol
(S)AH(I)N Onur;B(U)Y(U)KG(U)NG(O)R Orhan;ALBAYRAK (C)i(g)dem;ODABA(S)O(G)LU Mustafa

..............page:359-364

x-ray diffraction investigation of ethyl 2-(2-amino-3-ethoxycarbonyl-4h-benzo[f]chromene-4-yl)cyanoacetate
SUN Shu-Wen;ZHOU Fu-Lin;DONG Shun-Fu;BAI Yu;WANG Gao-Feng

..............page:432-436

synthesis and crystal structure of [{mn(ibg)(2,2\'-bipy)(h_2o)} 4h_2o]_n
XU Han;LI Yi-Zhi

..............page:483-487

a one-dimensional manganese( )coordination polymer with 4\'-hydroxybiphenyl-4-carboxylate as the single ligand: synthesis, crystal structure and luminescence
LU Xin-Wei;ZHU Zhi-Bi

..............page:465-470

hydrothermal synthesis, crystal structure and properties of a novel polyoxometalate{[cu~ (1,10-phen)]_2[pmo~ _(11)mo~ o_(40)]}[cu~ (c_8 n_4h_6)(c_9h_6no)(h_2o)]
LIN Xin-Rong;CHEN Jian-Xin;ZHANG Li;LAN Ting-Yan;YU You-Yi;KE Zhi-Cong;HU Li-Shan;ZHANG Zhi-Chun

..............page:437-443

synthesis and crystal structure of 12-(2,4-dichlorophenyl)-7,8,9,10,11,12-hexahydrobenzo[f]pyrimido[4,5-b]quinoline-9,11-dione dmf solvate
WANG Xiang-Shan;LI Qing;WU Jian-Rong;ZHANG Mei-Mei

..............page:335-340

a three-dimensional zinc 1,3,5-benzenetricarboxylate with rutile topology isolated in dmso solvothermal reaction
YU Miao;LIU Shu-Xia

..............page:353-358

density functional theory study on the optical properties of mn-doped gan
LI Jun-Qian;HU Xiao-Lin;ZHANG Yong-Fan;LI Hao-Hong;LI Yi

..............page:476-482

synthesis and crystal structure of a chiral manganese( )schiff base complex
CHEN Dong-Bo;SHENG Tian-Lu;WANG Xin;CHEN Jian-Shan;HU Sheng-Ming;FU Rui-Biao;SHEN Chao-Jun;ZOU Qing-Zhu;WU Xin-Tao

..............page:471-475

synthesis, structure and spectral properties of a novel triaryl substituted triazole and its co( )complex
CHEN Shui-Sheng;ZHANG Shu-Ping;LI Hui-Quan;SHAO Si-Chang

..............page:341-346

syntheses and crystal structures of (pyse)_2 and bi_2(pyse)_6(hpyse=2-pyridineselenol n-oxide)
MA De-Liang;GAO Ming-Xia;ZHANG Hong-Jian;SHEN Zhen;NIU De-Zhong

..............page:444-448

study on the synthesis of la(3)-doped nano-tio_2 and photocatalytic degradation of methyl orange
HU Hong-Min;YU Jian-Chang

..............page:407-413

an ab initio study on the structural and bonding properties of li_2si_3o_7
XU Lian-Jun;WU Wei-Dong;KWAN Wing-Keung;ZHANG Hong

..............page:414-420

hydrothermal synthesis, crystal structure and magnetic properties of a novel cobalt complex based on biphenyl-3,3\',4,4\'-tetracarboxylate
CHEN Hong;ZHU Kun;LIU Guang-Xiang;REN Xiao-Ming

..............page:347-352

two discrete cu-complexes constructed from a multidentate n-containing dinucleating ligand
XU Yan-Qing;XIA Pei-Lei;GAO Yuan-Zhe;REN Ling;HU Chang-Wen

..............page:459-464

syntheses and crystal structures of 1,5-disubstituted 1,3,5-hexahydro-triazine-2-(n-nitro)imines
XUE Si-Jia;ZHU Jun;WANG Hai-Feng;YANG Ding-Rong;JIN Jia

..............page:400-406

spectroscopy and energy transfer in yb~(3+)and tm~(3+) co-doped gd_3ga_5o_(12) crystal
CHEN Gui-Tang;ZHOU Han;LV Wan-Cong;WANG Yan;YOU Zhen-Yu;LI Jian-Fu;ZHU Zhao-Jie;TU Chao-Yang

..............page:449-458