HCN Adsorption on the Fe(100), Fe(111) and Fe(110) Surfaces: a Density Functional Theory Study
XIN Zhen-Donga SHI Wen-Jingb LI Qiao-Linga a b

..............page:763-773

Synthesis, Crystal Structure and Fluorescent Property of a New One-dimensional Cadmium(Ⅱ) Coordination Polymer Based on 3,4-Thiophenedicarboxylic Acid and 1,10-Phenanthroline
XUE Li-Ping LI Zhao-Hao LI Shi-Hui WANG Jian-Ge

..............page:704-708

Synthesis, Structure and Thermochromic Properties of a Copper(Ⅱ) Complex Based on Naphthyl Carboxylate and Benzimidazolyl Ligands
YIN Fu-Juna;b ZHAO Hongb XU Xing-Youa;c② YANG Xu-Jiea a b c

..............page:786-791

Structural Investigation,Quantum Mechanical Study and Hirshfeld Surface Analysis of One Novel Adduct Based on Aminopyridinium and Biphenyl-2,4′-dicarboxylate
WANG Zi-Lianga② WEI Lin-Hengb LI Ming-Xuea a b

..............page:756-762

Synthesis, Crystal Structure and Antidepressant Activity of 5-[4-(Benzyloxy)phenyl]-9-(n-propyl)-4,6-dioxa-1-azabicyclo[3.3.1]nonane Hydrochloride 0.5Hydrate
FU Er-Xiaa CAO Gaob SHI Leia HU Ai-Xia a b

..............page:709-713

Synthesis, Crystal Structure and Luminescent Properties of the Indium(Ⅲ) Complex Based on 2,6-Bis(1-phenylbenzimidazol-2-yl)pyridine
LIU Sheng-Guia CHEN Zi-Lub LIANG Kaic CHEN Xiao-Linga a b c

..............page:637-642

Molecular Modeling Studies of Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitors Combining Molecular Docking and 3D-QSAR Methods
LU Ya-Kuo a WANG Juan a HU Yong a LIN Yong b LIN Zhi-Hua a a b

..............page:679-694

Synthesis and Crystal Structure of (E)-2-(1-(2-Hydroxy-4-methoxyphenyl)ethylideneamino)-3-(4-hydroxyphenyl)methyl Propionate
LI Xua CHEN Xiao-Lana② YUAN Jin-Weib ZHU Hai-Shenga QU Ling-Boa;b a b

..............page:751-755

Syntheses, Crystal Structures and Photoluminescence Properties of Cadmium(Ⅱ) and Nickel(Ⅱ) Complexes with 2-(2-Benzimidazolyl)quinoline
CHEN Shu-Yang GUO Ying-Chen ZHANG Lian-Feng FENG Yu-Quan ZHENG Yuan-Yuan

..............page:643-648

QSAR and Pharmacophore Studies of Thiazolidine-4-carboxylic Acid Derivatives as Novel Influenza Neuraminidase Inhibitors Using HQSAR, Topomer CoMFA and CoMSIA
SUN Jia-Yinga② WANG Jian-Chaoa MEI Hub a b

..............page:744-750

Synthesis, Crystal Structure and Luminescence Property of a Cd(Ⅱ) Complex Assembled by 4-Carboxymethoxy Phenylacetic Acid
GUO Jing-Ke JI Jun WEN Yi-Hang②

..............page:774-778

Pure and Disiline-doped (6,0) AIN Nanotube: A Computational DFT Study on the NMR Parameters
SATTAR Arshadia② AHMADREZA Bekhradniab②③ MEHDI Gordana AMENEH Asgharia a b

..............page:721-729

Synthesis, Crystal Structure and Theoretical Studies of (E)-1-((9-(2-(2-methoxyethoxy)ethyl)-9H-carbazol-3-yl)methylene)thiosemicarbazide
LIU Yan-Qiu ZHANG Zhi-Wen LI Dan-Dan ZHOU Hong-Ping TIAN Yu-Peng WU Jie-Ying

..............page:659-666

Growth and Spectroscopic Investigations of Disordered Nd³⁺:Li₃Ba₂La₃（MoO₄）₈ Crystal
SONG Ming-Juna② ZHANG Li-Zhenb WANG Guo-Fub a b

..............page:730-738

Synthesis and Molecular Structure of 5-Amino-7-(benzo[d][1,3]dioxol-5-yl)-2,3-dihydro-1H-indene-4,6-dicarbonitrile
LIU Lei-Fang

..............page:649-652

Synthesis, Crystal Structure and Biological Activity of N-(tert-butyl)-N’-(2-(4-chlorophenyl)acetyl)-5-methyl-1,2,3-thiadiazole-4-carbohydrazide
WANG Duna;b MAO Wu-Taob FAN Zhi-Jinb LI Juan-Juana HUANG Yuna SONG Hai-Binb FAN Qianc Tatiana A. Kalininad Glukhareva Tatianad Morzherin Yury Yur’evichd Belskaya N. Pavlovnad Bakulev V. Alekseevichd a b c d

..............page:673-678

Syntheses, Crystal Structures and Antitumor Activities of Two Nicotinamides
WANG Zhi FAN Yi-Qiao LUO Dan-Meng SHI Lei

..............page:631-636

jie gou hua xue jian jie

..............page:792

Synthesis and Characterization of a Sb（Ⅲ） Complex with α-Diimine Ligand and a C_sp3-C_sp3 Coupling Production of the Original Ligand
MA Xiao-Lia SUN Shuaia YANG Yingb a b

..............page:714-720

Structure and Fluorescence Property of a 2D Bilayer Cd(Ⅱ) Coordination Polymer Induced by H-bonding and π-π Interaction
HU Jin-Song② LIU Xi-Hui HE Jie SHI Jian-Jun XING Hong-Long

..............page:739-743

New Solution Method of Pi-Orbital Axis Vector and Its Applications in Fullerenes and Carbon Nanotubes
BAI Hong-Cuna;b② ZHU Yingb YUAN Ni-Nia JI Yong-Qianga QIAO Wei-Yeb HUANG Yuan-Heb a b

..............page:695-703

Synthesis and Crystal Structure of Bis[O,O’-bis(4-tert-butylphenyl)dithiophosphate]nickel(Ⅱ)
ZHANG Xiu-Lana;b;c② ZOU Li-Kea;b;c XIE Bina;b LAI Chuand LI Yu-Longa;c a b c d

..............page:779-785

Crystal Structure of a Hexanuclear Silver（Ⅰ） Compound [Ag₆L₆⁶]·4DMF and Luminescence Discussion of a Series of Silver（Ⅰ） Clusters
SUN Qiao-Zhena LIU Huib CHAI Li-Yuanb a b;Environmental Engineering Institute;School of Metallurgical Science and Engineering;Central South University;Changsha 410083;China)

..............page:667-672

Synthesis and Structural Characterization of a New 1D Polymeric Energetic Complex [Hg（DAT）Cl₂]_n （DAT = 1,5-Diaminotetrazole）
LI Zhi-Min ZHANG Jian-Guo YANG Wei SUN Mou ZHANG Tong-Lai

..............page:653-658