Are neutral oxocarbons stable?HAIJUN JIAO; WU, Hai-Shun.Journal of organic chemistry. 2003, Vol 68, Num 4, pp 1475-1479, issn 0022-3263, 5 p.Article

Elimination of the barrier to cope rearrangement in semibullvalene by Li⁺ complexationHAIJUN JIAO; VON RAGUE SCHLEYER, P.Angewandte Chemie. International edition in English. 1993, Vol 32, Num 12, pp 1760-1763, issn 0570-0833Article

A detailed theoretical analysis of the 1,7-sigmatropic hydrogen shift : the Möbius character of the eight-electron transition structureHAIJUN JIAO; VON RAGUE SCHLEYER, P.Angewandte Chemie. International edition in English. 1993, Vol 32, Num 12, pp 1763-1765, issn 0570-0833Article

Hyperconjugation effect in substituted methyl boranes: An orbital deletion procedure analysisYIRONG MO; HAIJUN JIAO; VON RAGUE SCHLEYER, Paul et al.Journal of organic chemistry. 2004, Vol 69, Num 10, pp 3493-3499, issn 0022-3263, 7 p.Article

Magnetic properties of aromatic transition states : the Diels-Alder reactionsHERGES, R; HAIJUN JIAO; VON RAGUE SCHLEYER, P et al.Angewandte Chemie. International edition in English. 1994, Vol 33, Num 13, pp 1376-1378, issn 0570-0833Article

The structure and electronic property of BN nanotubeJIA, Jian-Feng; WU, Hai-Shun; HAIJUN JIAO et al.Physica. B, Condensed matter. 2006, Vol 381, Num 1-2, pp 90-95, issn 0921-4526, 6 p.Article

Formic Acid Dehydrogenation on Ni(111) and Comparison with Pd(111) and Pt(111)QIQUAN LUO; GANG FENG; BELLER, Matthias et al.Journal of physical chemistry. C. 2012, Vol 116, Num 6, pp 4149-4156, issn 1932-7447, 8 p.Article

Acrolein Hydrogenation on Ni(111)QIQUAN LUO; TAO WANG; BELLER, Matthias et al.Journal of physical chemistry. C. 2013, Vol 117, Num 24, pp 12715-12724, issn 1932-7447, 10 p.Article

Hydrogen generation from formic acid decomposition on Ni(211), Pd(211) and Pt(211)QIQUAN LUO; TAO WANG; BELLER, Matthias et al.Journal of molecular catalysis. A, Chemical. 2013, Vol 379, pp 169-177, issn 1381-1169, 9 p.Article

Molybdenum carbide catalysed hydrogen production from formic acid - A density functional theory studyQIQUAN LUO; TAO WANG; WALTHER, Guido et al.Journal of power sources (Print). 2014, Vol 246, pp 548-555, issn 0378-7753, 8 p.Article

Synthesis of Group 9 Metal-Olefin Complexes with Identical Ligand Frameworks and Comparison of their Catalytic Activity in [2 + 2 + 2] Cycloaddition and other Addition ReactionsWEDING, Nico; JACKSTELL, Ralf; HAIJUN JIAO et al.Advanced synthesis & catalysis (Print). 2011, Vol 353, Num 18, pp 3423-3433, issn 1615-4150, 11 p.Article

Mechanisms and Energies of Water Gas Shift Reaction on Fe-, Co-, and Ni-Promoted MoS₂ CatalystsCHEN, Yan-Yan; MEI DONG; JIANGUO WANG et al.Journal of physical chemistry. C. 2012, Vol 116, Num 48, pp 25368-25375, issn 1932-7447, 8 p.Article

CO₂ dissociation on Ni(2 1 1)CAO, Dong-Bo; LI, Yong-Wang; JIANGUO WANG et al.Surface science. 2009, Vol 603, Num 19, pp 2991-2998, issn 0039-6028, 8 p.Article

Chain growth mechanism of Fischer-Tropsch synthesis on Fe₅C₂(0 01)CAO, Dong-Bo; LI, Yong-Wang; JIANGUO WANG et al.Journal of molecular catalysis. A, Chemical. 2011, Vol 346, Num 1-2, pp 55-69, issn 1381-1169, 15 p.Article

CO hydrogenation reaction on sulfided molybdenum catalystsSHI, Xue-Rong; HAIJUN JIAO; HERMANN, Klaus et al.Journal of molecular catalysis. A, Chemical. 2009, Vol 312, Num 1-2, pp 7-17, issn 1381-1169, 11 p.Article

Amines adsorption on Li- and Na-exchanged MOR : An ONIOM2 studyNAN JIANG; SHUPING YUAN; JIANGUO WANG et al.Journal of molecular catalysis. A, Chemical. 2005, Vol 242, Num 1-2, pp 105-112, issn 1381-1169, 8 p.Article

Removal of surface sulfur from MoS_x cluster under CO adsorptionTAO ZENG; WEN, Xiao-Dong; LI, Yong-Wang et al.Journal of molecular catalysis. A, Chemical. 2005, Vol 241, Num 1-2, pp 219-226, issn 1381-1169, 8 p.Article

DFT+U Study of Molecular and Dissociative Water Adsorptions on the Fe₃O₄(110) SurfaceXIAOHU YU; YANNI LI; LI, Yong-Wang et al.Journal of physical chemistry. C. 2013, Vol 117, Num 15, pp 7648-7655, issn 1932-7447, 8 p.Article

Energetics of Carbon deposition on Fe(100) and Fe(110) surfaces and subsurfacesLIU, Xing-Wu; HUO, Chun-Fang; LI, Yong-Wang et al.Surface science. 2012, Vol 606, Num 7-8, pp 733-739, issn 0039-6028, 7 p.Article

CO dissociation on clean and hydrogen precovered Fe(111) surfacesHUO, Chun-Fang; JUN REN; LI, Yong-Wang et al.Journal of catalysis (Print). 2007, Vol 249, Num 2, pp 174-184, issn 0021-9517, 11 p.Article

Adsorption and energetics of H₂O molecules and O atoms on the χ-Fe₅C₂ (111), (―411) and (001) surfaces from DFTRUI GAO; CAO, Dong-Bo; YONG YANG et al.Applied catalysis. A, General (Print). 2014, Vol 475, pp 186-194, issn 0926-860X, 9 p.Article

Strain-Free [N]Ferrocenylenes and Cyclo[10]ferrocenyleneWU, Hai-Shun; CAIHONG GUO; JIANFENG JIA et al.ChemPhysChem (Print). 2013, Vol 14, Num 17, pp 3902-3905, issn 1439-4235, 4 p.Article

Reactivity of surface OH in CH₄ reforming reactions on Ni(111): A density functional theory calculationWANG, Sheng-Guang; CAO, Dong-Bo; LI, Yong-Wang et al.Surface science. 2009, Vol 603, Num 16, pp 2600-2606, issn 0039-6028, 7 p.Article

What is the product of ketene hydrogenation on Fe₅C₂(0 0 1) : Oxygenates or hydrocarbons?CAO, Dong-Bo; WANG, Sheng-Guang; LI, Yong-Wang et al.Journal of molecular catalysis. A, Chemical. 2007, Vol 272, Num 1-2, pp 275-287, issn 1381-1169, 13 p.Article

An ONIOM2 study on pyridine adsorption in the main channels of Li- and Na-MORSHUPING YUAN; JIANUO WANG; DUAN, Yun-Bo et al.Journal of molecular catalysis. A, Chemical. 2006, Vol 256, Num 1-2, pp 130-137, issn 1381-1169, 8 p.Article