Journal of Molecular Science 2010 Issue 3 First-principles simulations for the adsorption of hydrogen molecules on silicon oxide clusters

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Journal of Molecular Science
1000-9035
2010 Issue 3

First-principles simulations for the adsorption of hydrogen molecules on silicon oxide clusters
ZHI Li-li;U Yan-qing;CHEN Hui-min

..............page:189-193

Hydrothermal synthesis and cyrstal structure of coordination complex:[Ni(H2O)6] · [Ni2(phen)2(BTC)2(H2O)4]·4H2O
WANG Run-xue;QI Yan-juan;YUAN Xiao-dong

..............page:163-167

Study on nucleophilic addition-condensation reaction of thiosemicarbazide with vanillin by density functional theory
ZHAO Chen-xuan;SHAO Yi;ZHANG Wen-li;XU Mei;NI Liang

..............page:154-158

DFT study on the structures and electronic spectra of furan chalcones
XUE Yun-sheng;XU Kang;LIU Yi

..............page:203-207

Improvement on the method for the synthesis of 2,5-bis[(2-hydroxyethyl)amino]-1,4-benzoquinone
WANG Jian;LIE Wei-wei;TAO Chuan-zhou;SHI Da-hua;MA Wei-xing;WU Hao-feng

..............page:178-183

Photoluminescent properties of nanophosphors Eu0.12Y1.88-xLaxO3-δ and kinetic of grain growth
SI Wei;ZHANG Li-ming;JIANG Da;GAO Hong;ZHAI Yu-chun

..............page:184-188

Crystal structure and UV-vis diffuse reflectance investigation of 2D compound
LIU Guo-chen

..............page:219-222

Investigation on the reactivity properties of melamine coordinated molecules on the activity of heme in conceptual DFT method
ZHONG Ai-guo;LI Bai-lin;YAN Hua;DAI Guo-liang

..............page:213-218

The synthesis of nanometer alumina via supersolubility micelle nano serf-assembly
LIU Yan;ZHANG Feng-hua;LI Fei;LI Yan;ZHAI Yu-chun

..............page:194-198

Improvement on the synthetic method for 4-styryldiphenylphosphine
LIU Ying;FENG Xiu-juan;WANG Yong-meng;BAO Ming

..............page:159-162

Reaction mechanism of HCNO+OH in the gas phase
YU Jian-Kang;ZHANG Hao;YANG Tian-hong;SUN Chia-chung

..............page:149-153

Optical and electronic properties of tris[ 4-(9-phenylfluoren-9-yl) phenyl ] amine as light-emitting materials
LIU Yan-ling;HAN Li-zhi;ZHANG Hong;PEN Ai-min;LIU Peng-jun

..............page:168-172

Studies on seasonal varitation of amino acid and total polysaccharides in Isatis Indigotica Fort
LIE Dong-lian

..............page:199-202

Synthesis of ethylene glycol monopelargonate with Silica supported sodium bisulfate as catalyst
KONG Xiang-wen;LI Zhao-jing;YAN Feng;ZHANG Jing

..............page:208-212

The synthesis of dicopolymer of AM/ST in ionic liquids
LIU Hai-yan;SU Lian-jiang;LI Wei-hong;ZHAO Xiu-li;CHEN Cheng;ZHANG Hao;LI Rui;DING Wei

..............page:173-177