Publikationen – Dr. habil. Haijun Jiao

286.Benetskiy E, Luehr S, Vilches-Herrera M, Selent D, Jiao H, Domke L, Dyballa K, Franke R, and Boerner A. ACS CATALYSIS, 2014, 2130-2136. Rhodium-Catalyzed Nonisomerizing Hydroformylation of Methyl Oleate Applying Lactame-Based Phosphoramidite Ligands.
285.Thiel I, Jiao H, Spannenberg A, Hapke M. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2014, 763–764, 60-64. Decomposition mechanism of a cobalt-coordinated phosphite–olefin ligand under irradiation.
284.Rabeah J, Dimitrov A, Surkus A-E, Jiao H, Baumann W, Stoesser R, Radnik J, Bentrup U, Brueckner A. ORGANOMETALLICS, 2014, 33, 4905-4910. Control of Bridging Ligands in [(V2O3)2(RXO3)4⊂F]- Cage Complexes: A Unique Way To Tune Their Chemical Properties.
283.Zhou S, Fleischer S, Jiao H, Junge K, and Beller M. ADVANCED SYNTHESIS & CATALYSIS, 2014, 356, 3451-3455. Cooperative Catalysis with Iron and a Chiral Brønsted Acid for Asymmetric Reductive Amination of Ketones.
282.Werkmeister S, Junge K, Wendt B, Spannenberg A, Jiao H, Bornschein C, Beller M. CHEMISTRY – A EUROPEAN JOURNAL, 2014, 20, 4227-4231. Ruthenium/Imidazolylphosphine Catalysis: Hydrogenation of Aliphatic and Aromatic Nitriles to Form Amines.
281.Werkmeister S, Junge K, Wendt B, Alberico E, Jiao H, Baumann W, Junge H, Gallou F, Beller M. ANGEWANDTE CHEMIE INTERNATIONAL EDITION, 2014, 53, 8722-8726. Hydrogenation of Esters to Alcohols with a Well-Defined Iron Complex.
280.Wang T, Wang S, Luo Q, Li Y-W, Wang J, Beller M, Jiao H. THE JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 118, 4181-4188. Hydrogen Adsorption Structures and Energetics on Iron Surfaces at High Coverage.
279.Wang T, Tian X, Li Y-W, Wang J, Beller M, Jiao H. THE JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 118, 1095-1101. High Coverage CO Activation Mechanisms on Fe(100) from Computations.
278.Wang T, Tian X-X, Li Y-W, Wang J, Beller M, Jiao H. ACS CATALYSIS, 2014, 4, 1991-2005. Coverage-Dependent CO Adsorption and Dissociation Mechanisms on Iron Surfaces from DFT Computations.
277.Wang T, Luo Q, Li Y-W, Wang J, Beller M, Jiao H. APPLIED CATALYSIS A: GENERAL, 2014, 478, 146-156. Stable surface terminations of orthorhombic Mo2C catalysts and their CO activation mechanisms.
276.Wang T, Li Y-W, Wang J, Beller M, Jiao H. THE JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 118, 8079-8089. Dissociative Hydrogen Adsorption on the Hexagonal Mo2C Phase at High Coverage.
275.Wang T, Li Y-W, Wang J, Beller M, Jiao H. THE JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 118, 3162-3171. High Coverage CO Adsorption and Dissociation on the Orthorhombic Mo2C(100) Surface.
274.Tian X, Wang T, Yang Y, Li Y-W, Wang J, and Jiao H. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014, 16, 26997-27011. Structures and energies of Cu clusters on Fe and Fe3C surfaces from density functional theory computation.
273.Tian X, Wang T, Yang Y, Li Y-W, Wang J, and Jiao H. THE JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 118, 21963-21974. Adsorption Structures and Energies of Cun Clusters on the Fe(110) and Fe3C(001) Surfaces.
272.Tian X, Wang T, Yang Y, Li Y-W, Wang J, and Jiao H. THE JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 118, 20472-20480. Copper Promotion in CO Adsorption and Dissociation on the Fe(100) Surface.
271.Luo Q, Wang T, Walther G, Beller M, Jiao H. JOURNAL OF POWER SOURCES, 2014, 246, 548-555. Molybdenum carbide catalysed hydrogen production from formic acid - A density functional theory study.
270.Liu S, Tian X, Wang T, Wen X, Li Y-W, Wang J, and Jiao H. THE JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 118, 26139-26154. High Coverage Water Aggregation and Dissociation on Fe(100): A Computational Analysis.
269.Junge K, Wendt B, Jiao H, and Beller M. CHEMCATCHEM, 2014, 6, 2810-2814. Iridium-Catalyzed Hydrogenation of Carboxylic Acid Esters.
268.Gao R, Cao D-B, Yang Y, Li Y-W, Wang J, Jiao H. APPLIED CATALYSIS A: GENERAL, 2014, 475, 186-194. Adsorption and energetics of H2O molecules and O atoms on the X-Fe5C2 (1 1 1), (-4 1 1) and (0 0 1) surfaces from DFT.
267.Bornschein C, Werkmeister S, Wendt B, Jiao H, Alberico E, Baumann W, Junge H, Junge K, and Beller M. NATURE COMMUNICATIONS, 2014, 5, 4111. Mild and selective hydrogenation of aromatic and aliphatic (di)nitriles with a well-defined iron pincer complex.
266.Gao R, Cao D-B, Liu S, Yang Y, Li Y-W, Wang J, Jiao H APPLIED CATALYSIS A: GENERAL 2013, 468, 370-383. Density functional theory study into H2O dissociative adsorption on the Fe5C2(0 1 0) surface.
265.Gowrisankar S, Neumann H, Goerdes D, Thurow K, Jiao H, Beller M CHEMISTRY - A EUROPEAN JOURNAL 2013, 19, 15979-15984. A Convenient and Selective Palladium-Catalyzed Aerobic Oxidation of Alcohols.
264.Guo CH, Wu HS, Hapke M, Jiao H JOURNAL OF ORGANOMETALLIC CHEMISTRY 2013, 748, 29-35. Theoretical Studies on Acetylene Cyclotrimerization into Benzene Catalyzed by CpIr Fragment.
263.Li YN, Wang SG, Wang T Gao R, Geng CY, Li YW, Wang JG, Jiao H CHEMPHYSCHEM 2013, 14, 1182-1189. Energies and Spin States of FeS0/-, FeS20/-, Fe2S20/-, Fe3S40/-, and Fe4S40/- Clusters.
262.Li Q, Li YN, Wang t; Wang SG, Huo CF, Li YW, Wang JG, Jiao H CHEMPHYSCHEM 2013, 14, 1573-1576. Electronic Structures and Energies of Fe2(CO)n (n=0-9).
261.Liu Q, Wu L, Jiao H, Fang X, Jackstell R, Beller M ANGEWANDTE CHEMIE – INTERNATIONAL EDITION  2013, 52, 8064-8068. Domino Catalysis: Palladium-Catalyzed Carbonylation of Allylic Alcohols to ....-Unsaturated Esters.
260.Luo Q, Beller M, Jiao H JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 2013, 12, 1330001-1330028. Formic Acid Dehydrogenation on Surfaces – A Review of Computational Aspect.
259.Luo Q, Wang T, Beller M, Jiao H JOURNAL OF MOLECULAR CATALYSIS A: CHEMICAL 2013, 379, 169-177. Hydrogen generation from formic acid decomposition on Ni(2 1 1),Pd(2 1 1) and Pt(2 1 1).
258.Luo Q, Wang T, Beller M, Jiao H JOURNAL OF PHYSICAL CHEMISTRY C  2013, 117, 12715-12724. Acrolein Hydrogenation on Ni(111).
257.Arrieta A, Jiao H, Spannenberg A, Michalik D Tetrahedron 2013, 69, 8872-8877. NMR Investigation and Theoretical Studies on the Tautomerism of ß,ß’-Tricarbonyl Compounds.
256.Thiel I, Lamač M, Jiao H, Spannenberg A, Hapke M ORGANOMETALLICS 2013, 32, 3415-3418. Synthesis and Catalytic Activity of [Cp’Co(COD)] Complexes Bearing Pendant N-Containing Groups.
255.Yu X, Li Y, Li YW, Wang JG, Jiao H  JOURNAL OF PHYSICAL CHEMISTRY C  2013, 117, 7648-7655. DFT+U Study of Molecular and Dissociative Water Adsorptions on the Fe3O4(110) Surface.
254.Wu H, Guo C, Jianfeng J, Rosenthal U, Jiao H CHEMPHYSCHEM 2013, 14, 3902-3905. Strain-Free [N]Ferrocenylenes and Cyclo[10]ferrocenylene.
253.Wu XF, Zhang M, Jiao H, Neumann H, Beller M ASIAN JOURNAL OF ORGANIC CHEMISTRY 2013, 2, 135-139. Palladium-Catalyzed Synthesis of Furans from Double Carbonylative Coupling of Aryl Halides with Terminal Alkynes.
252.Walther G, Knoepke LR, Rabeah J, Checinski MP, JIAO H, Bentrup U, Brueckner A, Martin A, Koeckritz A JOURNAL OF CATALYSIS 2013, 297, 44 – 55. From Sunflower Oil toward 1,19-Diester: Mechnistic Elucidation.
251.Hollmann D, Grabow K, Jiao H, Kessler M, Spannenberg A, Beweries T, Bentrup U, Brueckner A Chemistry - A European Journal 2013, 19, 13705-13713. Hydrogen Generation by Water Reduction with [Cp*2Ti(OTf)]: Identifying Elemental Mechanistic Steps by Combined in Situ FTIR and in Situ EPR Spectroscopy Supported by DFT Calculations.
250.Becker L, Arndt P, Jiao H, Spannenberg A, Rosenthal U Angewandte Chemie - International Edition 2013, 52, 11396–11400. Nitrile–Nitrile C-C Coupling at Group4 Metallocenes to Form 1-Metalla-2,5-diaza-cyclopenta-2,4-dienes: Synthesis and Reactivity.
249.Becker L, Burlakov VV, Arndt P, Spannenberg A, Baumann W, Jiao H, Rosenthal U CHEMISTRY – A EUROPEAN JOURNAL 2013, 19, 4230-4237. Reactions of Group 4 Metallocene Complexes with Mono- and Diphenylacetonitrile: Formation of Unusual Four- and Six-Membered Metallacycles.
248.Haehnel M, Hansen S, Schubert K, Arndt P, Spannenberg A, Jiao H, Rosenthal U JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2013, 135, 17556-17565. Synthesis, Characterization and Reactivity of Group 4 Metallocene Bis(diphenylphosphino)acetylene Complexes - A Reactivity and Bonding Study.
247.Thiel I, Jiao H, Spannenberg A, Hapke M CHEMISTRY – A EUROPEAN JOURNAL 2013, 19, 2548-2554. Fine-Tuning the Reactivity and Stability by Systematic Ligand Variations in CpCo(I) Complexes as Catalysts for [2+2+2] Cycloaddition Reactions.
246.Y. Y. Chen, M. Dong, J. G. Wang, H. J. Jiao Journal of Physical Chemistry C  2012, 116, 25368-25375. Mechanism and Energies of Water-Gas Shift Reaction on Fe, Co, Ni-Promoted MoS2 Catalysts.
245.C. F. Huo, M. Beller, J. H. Jiao in Computational Organometallic Chemistry edited by O. Wiest and Y. Wu, Springer 2012, 219-254. Cobalt Catalyzed Hydroformylation and Cobalt Carbonyl Clusters: Recent Computational Studies.
244.R. Jennerjahn, R. Jackstell, I. Piras, R. Franke, H. J. Jiao, M. Bauer, M. Beller ChemSusChem 2012, 5, 734-739. Benign Catalysis with Iron: Unique Selectivity in Catalytic Isomerization Reactions of Olefins.
243.K. Junge, B. Wendt, F. A. Westerhaus, A. Spannenberg, H. J. Jiao, M. Beller Chemistry – A European Journal 2012, 18, 9011-9018. Phosphine-Imidazolyl Ligands for the Efficient Ruthenium-Catalyzed Hydrogenation of Carboxylic Esters.
242.X. W. Liu, C. F. Huo, Y. W. Li, J. G. Wang, H. J. Jiao Surface Science 2012, 606, 733-739. Energetics of Carbon Deposition on Fe(100) and Fe(110) Surfaces and Subsurfaces.
241.Q. Luo, G. Feng, M. Beller, H. J. Jiao Journal of Physical Chemistry C 2012, 116, 4149-4156. Formic Acid Dehydrogenation of Ni(111) and Comparison with Pd(111) and Pt(111).
240.T. Wang, S. G. Wang, Y. W. Li, J. G. Wang, H. J. Jiao Journal of Physical Chemistry C 2012, 116, 6340-6348. Adsorption Equilibria of CO Coverage on β-Mo2C Surfaces.
239.X. F. Wu, H. J. Jiao, H. Neumann, M. Beller Chemistry – A European - Journal 2012, 18, 16177-16185. Palladium-Catalyzed Carbonylative Coupling of Aryl Iodides and Benzyl Acetylenes to 3-Alkylidenefuran-2-ones under Mild Conditions and Its Density Functional Theory Modeling.
238.X. Yu, C. F. Huo, Y. W. Li, J. G. Wang, H. J. Jiao Surface Science 2012, 606, 872-879. Fe3O4 Surface Electronic Structures and Stability from GGA + U.
237.X. Yu, S. G. Wang, Y. W. Li, J. G. Wang, H. J. Jiao Journal of Physical Chemistry C  2012, 116, 10632-10638. Single Gold Atom Adsorption on the Fe3O4(111) Surface.
236.S. Zhao, X. W. Liu, C. F. Huo, Y. W. Li, J. G. Wang, H. J. Jiao Journal of Catalysis 2012, 294, 47-53. Surface Morphology of Hägg Iron Carbide (c-Fe5C2) from ab initio Atomistic Thermodynamics.
235.J. Rabeah, R. Stoesser, H. J. Jiao, S. I. Troyanov, J. Radnik, H. Dwelk, M. Meisel, A. Brueckner Chemistry – A European Journal 2012, 18, 6433-6436. Tuning the Electronic and Spin Complexity in Organic – Inorganic Molecular Hybrid Compounds.
234.

X.-F. Wu, H. Jiao, H. Neumann, M. Beller, ChemCatChem 2011, 3, 726-733. Progress in Carbonylative-Heck Reactions of Aryl Bromides: Catalysis and DFT Studies.

233.A. Christiansen, D. Selent, A. Spannenberg, M. Koeckerling, H. Reinke, W. Baumann, H. J. Jiao, R. Franke, A. Börner Chemistry – A European Journal 2011, 17, 2120-2129. Heteroatom-Substituted Secondary Phosphine Oxides (HASPOs) as Decomposition Products and Preligands in Rhodium-Catalysed Hydroformylation.
232.S. Erfle, T. Rahn, F. Bendrath, W. Baumann, D. Michalik, H. J. Jiao, A. Spannenberg, A. Boerner, P. Langer, Tetrahedron  2011, 67, 8780-8789. Synthesis and Characterization of Permethylated 1,3,5-Tri- and 1,3,5,7-Tetracarbonyl Compounds.
231.N. Weding, Jackstell, H. J. Jiao, A. Spannenberg, M. Hapke, Advanced Synthesis & Catalysis 2011, 353, 3423-3433. Synthesis of Group 9 Metal-Olefin Complexes with Identical Ligand Framework and Comparison on their Catalytic Activity in [2+2+2] Cycloaddition and other Addition Reactions.
230.

K. Kaleta, A. Hildebrandt, F. Strehler, P. Arndt, H. Jiao, A. Spannenberg, H. Lang, U. Rosenthal, Angew. Chem. 2011, 123, 11444-11448. Ferrocenylsubstituierte Metallacyclen des Titanocens – Oligocyclopentadienylkomplexe mit vielversprechenden Eigenschaften; Angew. Chem. Int. Ed. 2011, 50, 11248-11252; Ferrocenyl Substituted Metallacycles of Titanocenes – Oligocyclopentadienyl Complexes with Promising Properties.

229.I. S. Mikhel, N. V. Dubrovina, I. A. Shuklov, W. Baumann, D. Selent, H. J. Jiao, A. Christiansen, R. Franke, A. Boerner, Journal of Organometallic Chemistry 2011, 696, 3050-3057. Synthesis, Complexation Behavior and Application of a new Diphosphite Ligand in Rhodium-Catalyzed Hydroformylation.
228.I. A. Shuklov, H. Jiao, J. Schulze, W. Tietz, K. Kuehlein, A. Boerner, Tetrahedron Letters 2011, 52, 1027-1030. Studies on the Epimerization of Diastereomeric Lactides.
227.X. M. Zhang, J. Lv, F. Ji, H.S. Wu, H. J. Jiao, R. P. v. Schleyer Journal of the American Chemical Society 2011, 133, 4788-4790. A Perfectly Square-Planar Tetracoordinated Oxygen in a Tetracopper Cluster-Based Coordination Polymer.
226.T. Wang, X. W. Liu, S. G. Wang, C. F. Huo, Y. W. Li, J. G. Wang, H. J. Jiao, Journal of Physical Chemistry C 2011, 115, 22360-22368. Stability of ß-Mo2C Facets from ab Initio Atomistic Thermodynamics.
225.Y. Li, W. P. Guo, W. Fan, S. Yuan, J. Li, J. G. Wang, H. J. Jioa, T. Tatsumi Journal of Molecular Catalysis A: Chemical 2011, 338, 24-32. A DFT Study on the Distributions of Al and Brönsted Acid Sites in Zeolite MCM-22.
224.C. F. Huo, B. S. Wu, P. Gao, Y. Yang, Y. W. Li, H. Jioa, Angewandte Chemie – International Edition 2011, 50, 7403-7406. The Mechanism of Potassium Promoter: Enhancing the Stability of Active Surfaces.
223.G. Feng, C. F. Huo, Y. W. Li, J. G. Wang, H. J. Jiao, Chemical Physics Letters 2011, 510, 224-227. Structures and Energies of Iron Promoted γ-Al2O3 Surface: A Computational Study.
222.D. B. Cao, Y. W. Li, J. G. Wang, H. J. Jiao, Journal of International of Molecular Catalysis A: Chemical 2011, 346, 55-69. Chain Growth Mechanism of Fischer-Tropsch Synthesis on Fe5C2 (0 0 1).
221.D. B. Cao, Y. W. Li, J. G. Wang, H. J. Jioa, Journal of Physical Chemistry C 2011, 115, 225-233. Mechanism of γ-Al2O3 Support in CO2 Reforming of CH4-A Density Functional Theory Study.
220.L. J. Deng, C. F. Huo, X. W. Liu, X. H. Zhao, Y. W. Li, J. G. Wang, H. J. Jiao,  Journal of Physical Chemistry C 2010, 114, 21585-21592. Density Functional Theory Study on Surface CxHy Formation from CO Activation on Fe3C(100).
219.Y. Y. Chen, X. H. Zhao, X. D. Wen, X. R. Shi, M. Dong, J. Wang, H. J. Jiao, Journal of Molecular Catalysis A: Chemical 2010, 329, 77-85. Mechanistic Aspect of Ethanol Synthesis from Methanol under CO Hydrogenation Condition on MoSx Cluster Model catalysts.
218.Y. Y. Chen, M. Dong, J. G. Wang, H. J. Jiao, JOURNAL OF PHYSICAL CHEMISTRY C  2010, 114, 16669-16676. On the Role of a Cobalt Promoter in a Water-Gas-Shift Reaction on Co-MoS2.
217.M. Lamač, A. Spannenberg, W. Baumann, C. Fischer, H. Jiao, S. Hansen, P. Arndt, U. Rosenthal, J. Am. Chem. Soc. 2010, 132, 4369-4380; Si-H Bond Activation of Alkynylsilanes by Group 4 Metallocene Complexes.
216.W.-J. Zhang, C.-F. Huo, G. Feng, Y.-W. Li,  J. Wang, H. Jiao, J. Mol. Struct. (Theochem) 2010, 950, 20-26. Dehydration of Goethite and to Hematite from Molecular Dynamics Simulations.
215.M. Lamač, A. Spannenberg,  H. Jiao, S. Hansen, W. Baumann,  P. Arndt, U. Rosenthal,  Angew. Chem. Int. Ed. 2010, 49, 2937-2940. Angew. Chem. 2010, 122, 2999-3002. Formation of a 1-Zircona-2,5-disilacyclopent-3-yne: Coordination of 1,4-Disilabutatriene to Zr?.
214.J. Jia, Y. N. Lai, H. S. Wu, H. J. Jiao, Journal of Physical Chemistry A 2010, 114, 12755-12758. Structure and Stability of Tube and Cage Ge60H60.
213.J. Jia, H.-S. Wu, X.-H. Xu, X.-M. Zhang, H. Jiao, J. Phys. Chem. C 2010, 114, 7558-7562. Structure and Stability of X@C60F, X@C60F2 (X = N, H) and (H@C60)2.
212.I. A. Shuklov, N. V. Dubrovina, H. Jiao, A. Spannenberg, A. Börner,  Eur. J. Org. Chem. 2010, 1669-1680. A Highly Diastereoselective Route to Dinaphtho[c,e][1,2]oxaphosphinines and Their Application as Ligands in Homogeneous Catalysis.
211.C.-F. Huo, R. Jackstell, M. Beller, H. Jiao, J. Mol. Model. 2010, 16, 431-436. Mechanistic Study of Palladium-Catalyzed Telomerization of 1,3-Butadiene with Methanol.
210.E. D. Jemmis, S. Roy, V. V. Burlakov, H. Jiao, M. Klahn, S. Hansen, U.  Rosenthal, Organometallics, 2010, 29, 76-81. Are Metallocene acetylene (M = Ti, Zr, Hf) Complexes Aromatic Metallacyclopropenes?
209.Li, Y.; Guo, W.; Yuan, S.; Fan, W.; Dong, M.; Wang, J. Jiao, H. J. Mol. Struct. (Theochem) 2009, 916, 53-60; Effective ONIOM Schemes for Modeling MCM-22 Zeolite.
208.C.-F. Huo, Y.-W. Li, J. Wang, H. Jiao,  J. Am. Chem. Soc. 2009, 131, 14713-14721. CH4 formation on the FeXCy surfaces – Exploring FTS mechanisms.
207.D.-B. Cao,  Y.-W. Li, J.-G. Wang, H. Jiao, Surf. Sci. 2009, 603, 2991-2998. CO2 Adsorption and Activation on Ni(211).
206.X.-R. Shi, H. Jiao, K. Hermann, J. Wang, J. Mol. Catal. A 2009, 312, 7-17. CO Hydrogenation Reaction on Sulfifed Molybdenum Catalysts.
205.S.-G. Wang, D.-B. Cao, Y.-W., J. G. Wang, H. Jiao, Surf. Sci. 2009, 603, 2600-2606. Reactivity of Surface OH in CH4 Reforming Reactions on Ni(111): A Density Functional Theory Study.
204.J.-F. Jia, C. Liu, H.-S. Wu, P. v. R. Schleyer, H. Jiao, J. Phys. Chem. C 2009, 113, 8077-8084. Polyhedral (CF)n Fluorocarbons – Structure and Stability.
203.J. Jia, Y.-N. Lai, H.-S. Wu, H. Jiao,  J. Phys. Chem. C 2009, 113; 6887-6890; Structure and Stability of Tube and Cage (SiH)60.
202.T. Rahn,  B. Appel, W. Baumann, H. Jiao, A. Börner, C. Fischer, P. Langer,  Org. Biomol. Chem. 2009, 7, 1931-1938. Synthesis of chromones and 4-hydroxyquinolines based on uncatalyzed condensations of 1-methoxy-1,3-bis(trimethylsilyloxy)-1,3-butadiene with 2-alkoxy- and 2-nitrobenzoyl chlorides and related reactions.
201.G. Feng, C.-F. Huo,  C.-M. Deng, L.  Huang, Y.-W. Li, J. Wang, H. Jiao, J. Mol. Catal. A 2009, 304, 58-64. Isopropanol Adsorption on γ-Al2O3 Surfaces: A Computational Study.
200.T. Yang, X.-D. Wen, C.-F. Huo, Y.-W. Li,  J. G. Wang, H. Jiao,  J. Mol. Catal. A 2009, 302, 129-136. Structures and Energetics of Hydrogen Adsorption on Fe3O4(111).
199.D. Hollmann, H. Jiao, A. Spannenberg, S. Bähn, A. Tillack, R. Parton, R. Altink, M. Beller, Organometallics 2009, 28, 473-479. Deactivation of the Shvo Catalyst by Ammonia: Synthesis, Characterization and Modeling.
198.T. Yang, X.-D. Wen, Y.-W. Li, J. Wang, H. Jiao, Surf. Sci. 2009, 603, 78-83. Interaction of alkali metals with the Fe3O4(111) Surface.
197.C.-M. Deng, C.-F. Huo, L.-L. Bao, G. Feng, Y.-W. Li, J. Wang, H. Jiao,  J. Phys. Chem. C 2008, 112, 19018-19029. CO adsorption on Fe4C(100), (110) and (111) surfaces in Fischer-Tropsch Synthesis.
196.Z. Chen,  H. Jiao, J. I. Wu, R. Herges, S. B. Zhang, P. v. R. Schleyer,  J. Phys. Chem. A 2008, 112, 10586-10594. Homobenzene: Homoaromaticity and Homoantiaromaticity in Cycloheptatrienes.
195.C.-F. Huo, Y.-W. Li, J. Wang, H. Jiao,  J. Phys. Chem. C 2008, 112, 14108-14116. Formation of CHx Species from CO dissociation on Double-Stepped Co(0001): Exploring Fischer-Tropsch Mechanism.
194.D.-B. Cao, Y.-W. Li, J. Wang, H. Jiao, J. Phys. Chem. C 2008, 112, 14884-14890. Adsorption and Reaction of Surface Carbon Species on Fe5C2(001).
193.X. Y. Liao, S.-G. Wang, Z.-Y. Ma, Y.-W. Li, J. Wang, H. Jiao, J. Mol. Catal. A 2008, 292, 14-20. Density Functional Theory Study of H2 Adsorption on the (100), (001) and (010) Surfaces of Fe3C.
192.V. Karapetyan, S. Mkrtchyan, A. Schmidt, J.-P. Gütlein, A. Villinger,  H. Reinke, H. Jiao, C. Fischer, P. Langer, Org. Biomol. Chem. 2008, 6, 2961-2968. Synthesis of 3,4-Benzo-7-hydroxy-2,9-diazabicyclo[3.3.1]non-7-enes by Cyclization of 1,3-Bis(Silyl Enol Ethers) with Quinazolines.
191.M. A. Yawer, I. Hussain, J.-P. Gütlein, A. Schmidt,  H. Jiao, H. Reinke, A. Spannenberg,  P. Langer, Eur. J. Org. Chem, 2008, 4193-4199. Synthesis of Functionalized Isobenzomorphans by Two-Step Cyclocondensation of 1,3-Bis(trimethyl­silyloxy)-1,3-butadienes with Isoquinolines.
190.H.-S. Wu, X.-F. Qin, H. J. Jiao,  Theoret. Comput. Chem. 2008, 7, 595-606. Structure and Stability of Monocyclic (CH)4–n(BL)n2– (L=CO, N2, CS) Dianions and Their Lithium Complexes (CH)4–n(BL)nLi2.
189.X.-F. Qin, H.-S. Wu, H. J. Jiao, Theoret. Comput. Chem. 2008, 7, 531-539. Structure and Stability of Hydrogen Poor closo-BnHn–x–/0/+ (n = 5–12).
188.J. Jia, H.-S. Wu, X.-H. Xu, X.-M. Zhang, H. Jiao, Org. Lett. 2008, 10, 2573-2576. Tube-like and Cage C60H60: A Comparison with C60F60.
187.T. Yang, X.-D. Wen, C.-F. Huo, Y.-W. Li, J. Wang, H. Jiao,. J. Phys. Chem. C 2008, 112, 6372-6379. Carburization of the Fe3O4(111) Surface.
186.J. Jia, H.-S. Wu, X.-H. Xu, X.-M. Zhang, H. Jiao, J. Am. Chem. Soc. 2008, 130, 3985-3988. Fused five-membered rings determine the stability of C60F60.
185.C.-F. Huo, Y.-W. Li, J. Wang, H. Jiao, J. Phys. Chem. 2008, 112, 3840-3848. Reactivity of the clean and oxygen pre-covered Co(0001) surfaces upon CO adsorption and dissociation as well as CH coupling and hydrogenation.
184.T. Rahn, H. Jiao, A. Spannenberg, P. Langer, Eur. J. Org. Chem. 2008, 981-984. Synthesis and characterization of cyclopropyl-polyketides. A combined experimental and theoretical study.
183.B. Li, W. Guo, S. Yuan, J. Hu, J. G. Wang, H. Jiao, J. Catal. 2008, 253, 212-200. A Theoretical Investigation into Thiophene Cracking Mechanism over Pure Brønsted Acidic Zeolites.
182.

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X.-F. Qin, H.-S. Wu, H. Jiao, J. Mol. Struct. (Theochem) 2007, 822, 111-115. Structure and Aromaticity of closo-BnHn–1(CO) (n = 5–12).

179.

S.-G. Wang, X.-Y. Liao, D.-B. Cao, Y.-W. Li, J.-G. Wang, H. Jiao, J. Phys. Chem. C 2007, 111, 10894-10903. Formation of Carbon Species on Ni(111): Structure and Stability.

178.

C.-F. Huo, J. Ren, Y.-W. Li, J.-G. Wang, H. Jiao, J. Catal. 2007, 249, 174-184. CO Dissociation on Clean and Hydrogen Pre-covered Fe(111) Surfaces.

177.

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176.

D.-B. Cao, S.-G. Wang, Y.-W. Li, J.-G. Wang, H. Jiao, J. Mol. Catal. A 2007, 272, 275-287. What is the product of ketene hydrogenation on F5C2(001): Oxygenates or hydrocarbons?

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Z.-Y. Ma, C.-F. Huo, X.-Y. Liao, Y.-W. Li, J. G. Wang, H. Jiao, J. Phys. Chem. C 2007, 111, 4305-4313. Density functional theory study of CO and H2 co-adsorption on the Fe(111) surface.

174.

X.-F. Qin, H.-S. Wu, H. Jiao, J. Mol. Struct. (Theochem) 2007, 810, 135-141. Structure and Aromaticity of closo-BnHn–2(CO)2 (n = 5–12).

173.

J. Ren, C.-F. Huo, X.-D. Wen, Z. Cao, J.-G. Wang, Y.-W. Li, H. Jiao, Surf. Sci. 2007, 601, 1599-1607. Adsorption of NO, NO2, pyridine and pyrrole on α-M2C(0001).

172.

X.-D. Wen, Y.-W. Li, J. G. Wang, H. Jiao, Chem. Phys. Lett. 2007, 436, 209-212. NO Adsorption On Triangular Mo28S60 Cluster.

171.X.-Y. Liao, D.-B. Cao, S.-G. Wang, Z.-Y. Ma, Y.-W. Li, J. G. Wang, H. Jiao, J. Mol. Catal. A 2007, 269, 169-178. Density Functional Theory Study of CO Adsorption on the (100), (001) and (010) Surfaces of Fe3C.
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S.-G. Wang, X.-Y. Liao, J. Hu, D.-B. Cao, Y.-W. Li, J. G. Wang, H. Jiao, Surf. Sci 2007, 601, 1271-1284. Kinetic Aspect of CO2 Reforming of CH4 on Ni(111): A Density Functional Theory Study.

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M. Dong, G. Wang, Z. Qin, J. Wang, T. Liu, S. Yuan, H. Jiao, J. Phys. Chem. B. 2007, 110, 1515-1522. A Comparative Investigation of Co2+ and Mn2+ Incorporation into Aluminophosphates by in situ XAFS and DFT Computation.

168.

C.-Y. Zhang, H.-S. Wu, H. Jiao, J. Mol. Model. 2007, 13, 499-503. Aromatic C20F20 and its endohedral complexes X@C20F20 (X = H, F, Cl, Br, H, He).

167.

F.-Q. Zhang, X.-M. Zhang, H.-S. Wu, H. Jiao,. J. Phys. Chem. A 2007, 111, 159-166; Structural and Electronic Properties of Hetero-Transition-Metal Keggin Anions: A DFT Study of α/β-[XW12O40]n– (X = CrVI, VV, TiIV, FeIII, CoIII, NiIII, CoII and ZnII) Relative Stability.

166.

H.-S. Wu, J.-F. Jia, H. Jiao, J. Mol. Model. 2007, 13, 133-136. Localized and delocalized perfluorosemibullvalenes.

165.

V. Bilenko, H. Jiao, A. Spannenberg, C. Fischer, H. Reinke, J. Kösters, I. Komarov, A. Börner, Eur. J. Org. Chem. 2007, 758-767. A New Target for Highly Steroselective Katsuki-Sharpless-Epoxidation – One-Pot Synthesis of C2-Symmetric 2;2'-Bisoxiranes.

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S. Hübner, H. Jiao, D. Michalik, H. Neumann, S. Klaus, D. Strübing, A. Spannenberg, M. Beller, Chem. Asia J. 2007, 2, 720-733. In Situ Generation of Chiral N-Dienyl Lactams in a Multi Component Reaction: An Efficient and Highly Selective Way to Asymmetric Amido Cyclohexenes.

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S. Hübner, D. Michalik, H. Jiao, H. Neumann, S. Klaus, D. Strübing, A. Spannenberg, M. Beller, Chem. Asia J. 2007, 2, 734-746. Three Component Reactions with (S)-Methyl Pyroglutamate: An Efficient Way to Diversely Substituted Asymmetric Amido Cyclohexenes.

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M.-N. Gensow, N. V. Dubrovina, H. Jiao, D. Michalik, J. Holz, R. Paciello, B. Breit, A. Börner, Chem. Eur. J. 2007, 13, 5896-5907. Enantioselective Hydrogenation with New Self-Assembling Rh-Phosphane Catalysts – Influence of Ligand Structure and Solvent.

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H. M. Kaiser, I. Zenz, W. F. Lo, A. Spannenberg, K. Schröder, H. Jiao, D. Gördes, M. Beller, M. K. Tse, J. Org. Chem. 2007, 72, 8847-8858. Preparation of novel unsymmetrical bisindoles under solvent-free conditions: Synthesis, crystal structures and mechanistic aspects.

160.X.-D. Wen, Z. Cao, Y.-W. Li, J.-G. Wang, H. Jiao, J. Phys. Chem. B 2006, 110, 23860-23869. Structure and Stability MoSxCy Clusters: A density functional theory study.
159.X.-D. Wen, Y.-W. Li, J.-G. Wang, H. Jiao, J. Phys. Chem. B 2006, 110, 21060-21068. NO adsorption on MoSx clusters: A density functional theory study.
158.J. Ren, C.-F. Huo, X.-D. Wen, Z. Cao, J.-G. Wang, Y.-W. Li, H. Jiao, J. Phys. Chem. B 2006, 110, 22563-22569; Thiophene adsorption and activation on MoP(001), γ-Mo2N(100) and Ni2P(001).
157.D.-M. Huang, D.-B. Cao, Y.-W. Li, H. Jiao, J. Phys. Chem. B 2006, 110, 13920-13925; Density functional theory study of CO adsorption on Fe3O4(111).
156.S.-G. Wang, D.-B. Cao, Y.-W. Li, J.-G. Wang, H. Jiao, Surf. Sci. 2006, 600, 3226-3234. CH4 Dissociation on Ni Surfaces: Density Functional Theory Study.
155.S. P. Yuan, J. G. Wang, Y.-W. Li, H. Jiao, J. Mol. Catal. A 2006, 265, 130-137. An ONIOM2 Study of Pyridine Adsorptions in the Main Channels and Intersection of Li- and Na-MOR.
154.M. K. Tse, H. Jiao, S. Anilkumar, B. Bitterlich, F. G. Celalcha, M. Beller, J. Organometal. Chem. 2006, 691, 4419-4433. Synthetic, spectral and catalytic activity studies of some ruthenium bi- and ter-pyridine complexes: implication in the mechanism of ruthenium(pyridine-2,6-bisoxazoline)(pyridine-2,6-dicarboxylate) catalyzed asymmetric epoxidation of olefins utilizing H2O2.
153.H.-S. Wu, X.-Y. Cui, X.-F. Qin, S. L. Strout, H. Jiao, J. Mol. Model. 2006, 123, 537-542. Boron nitride cages from B12N12 to B36N36: square-hexagon alternants vs. boron nitride tubes.
152.F.-Q. Zhang, Y.-Y. Xu, H.-S. Wu, Y.-W. Li, H. Jiao, J. Mol. Model. 2006, 12, 551-558. Structure and Stability of Neutral Polyoxometalate Cages: (Mo2O6)m, m = 1-13.
151.X.-D. Wen, T. Zeng, H. Jiao, J. Phys. Chem. B 2006, 110, 14004-14005. Reply to "Comment on 'Density Functional Theory Study of Triangular Molybdenum Sulfide Nanocluster on CO Adsorption on It"'.
150.N. V. Dubrovina, H. Jiao, V. I. Tararov, A. Spannenberg, R. Kadyrov, A. Monsees, A. Christiansen, A. Börner, Eur. J. Org. Chem. 2006, 3412-3420. A New Access to Chiral Phospholanes.

149.

J. Holz, O. Zayas, H. Jiao, W. Baumann, A. Spannenberg, A. Monsees, T. H. Riermeier, J. Almena, R. Kadyrov, A. Börner, Chem. Eur. J. 2006, 12, 5001-5013. A highly turnable family of chiral bisphospholanes for Rh-catalyzed enantioselective hydrogenations.

148.

J. Ren, C.-F. Huo, J.-G. Wang, Y.-W. Li, H. Jiao, Surf. Sci. 2006, 600, 2329-2337. Density functional theory study into the adsorption CO2, H and CHx (x = 0-3) as well as C2H4 on α-Mo2C(0001).

147.

X.-D. Wen, T. Zeng, B.-T. Teng, G.-S. Wu, F.-Q. Zhang, Y.-W. Li, J.-G. Wang, H. Jiao, J. Mol. Catal. A 2006, 249, 191-200. Hydrogen Adsorption on A Mo27S54 Cluster: A Density Functional Theory Study.

146.

M. K. Tse, S. Bhor, M. Klawonn, C. Döbler, G. Anilkumar, A. Spannenberg, H. Jiao, W. Mägerlein, H. Hugl, M. Beller, Chem. Eur. J. 2006, 12, 1875-1888. Ruthenium catalyzed asymmetric epoxidation of olefins using H2O2 Part II: catalytic activities and mechanism.

145.

M. K. Tse, S. Bhor, M. Klawonn, C. Döbler, G. Anilkumar, A. Spannenberg, H. Jiao, W. Mägerlein, H. Hugl, M. Beller, Chem. Eur. J. 2006, 12, 1855-1874. Ruthenium catalyzed asymmetric epoxidation of olefins using H2O2 Part I: Synthesis of new N,N,N-tridentate ligands-pybox and pyboxazine and their ruthenium complexes.

144.

S.-G. Wang, D.-B. Cao, Y.-W. Li, J.-G. Wang, H. Jiao, J. Phys. Chem. B 2006, 110, 9976-9983. CO2 Reforming of CH4 on Ni(111): Intermediates and Thermodynamics.

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F.-Q. Zhang, H.-S. Wu, X.-F. Qin, Y.-W. Li, H. Jiao, J. Mol. Struct. (Theochem) 2005, 755, 113-117. On the α/β-[AlW12O40]5– Stability: Revisited.

142.

F.-Q. Zhang, H.-S. Wu, D.-B. Cao, X.-M. Zhang, Y.-W. Li, H. Jiao, J. Mol. Struct. (Theochem) 2005, 755, 119-126. Insight into the Intrinsic Stability of the α-Keggin Structure.

141.

H.-S. Wu, X.-H. Xu, D. L. Strout, H. Jiao, J. Mol. Model. 2005, 12, 1-8. The Structure and Stability of B36N36 Cages: A Computational Study.

140

A. Tillack, V. Khedkar, H. Jiao, M. Beller, Eur. J. Org. Chem. 2005, 5001-5012. A general study of aryloxo and alkoxy ligands in the titanium catalyzed intermolecular hydroamination of terminal alkynes.

139.

J. Ren, C.-F. Huo, J.-G. Wang, Y.-W. Li, H. Jiao, Surf. Sci. 2005, 596, 212-221. Surface Structure and Energy of oxygen and CO Adsorption on α-Mo(0001).

138.

C.-F. Huo, T. Zeng, Y.-W. Li, M. Beller, H. Jiao, Organometallics 2005, 24, 6037-6042. Switching End-on To Side-on C≡N Coordination. A Computational Approach.

137.

N. Jiang, S.-P. Yuan, J.-G. Wang, H. Jiao, J. Mol. Cat. A 2005, 242, 105-112. Amine Adsorptions in Li- and Na-Exchanged MOR.

136.

S.-G. Wang, X.-D. Wen, D.-B. Cao, Y.-W. Li, J.-G. Wang, H. Jiao, J. Phys. Chem. B 2005, 109, 18956-18963. Chemisorption of CO2 on the Nickel Surfaces.

135.

X.-D. Wen, T. Zeng, Y.-W. Li, J.-G. Wang, H. Jiao, J. Phys. Chem. B 2005, 109, 18491-18499. Surface Structure and Stability of MoSx Model Clusters.

134.

T. Zeng, X.-D. Wen, Y.-W. Li, H. Jiao, J. Mol. Catal. A 2005, 241, 219-226. Removal of surface sulfur from MoSx cluster under CO adsorption.

133.

H.-S. Wu, X.-H. Xu, H. Jiao, Chem. Phys. Lett. 2005, 412, 299-302. Structure and stability of perazido substituted azacycloalkanes, Nn(N3)n.

132.

Z.-X. Wang, Z.-F. Chen, H. Jiao, P. v. R. Schleyer, J. Theoret. Comput. Chem. 2005, 4, 669-688. Isolobal boron carbonyl carbocation analogs.

131.

A. Jacobi von Wangelin, H. Neumann, D. Gördes, S. Hübner, C. Wendler, S. Klaus, D. Strübing A. Spannenberg, H. Jiao, L. El Firdoussi, K. Thurow, N. Stoll, M. Beller, Synthesis 2005, 12, 2029-2038. Sequential three-component and Heck reactions for the synthesis of phenanthridones.

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128.

C.-F. Huo, Y.-W. Li, M. Beller, H. Jiao, Organometallics 2005, 24, 3634-3643. Regioselective Hydroformylation of 1,3-Butadiene. Density Functional Studies.

127.

T. Zeng, X.-D. Wen, Y.-W. Li, H. Jiao, J. Phys. Chem. B 2005, 109, 13704-1371.; Density functional theory study of triangular molybdenum sulfide nano-cluster and CO adsorption on It.

126.

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125.

C.-Y. Zhang, H.-S. Wu, H. Jiao, Chem. Phys. Lett. 2005, 410, 457-461. Structure and Stability of Endohedral X@Si20H20 Complexes (X = Li0/+, Na0/+, K0/+, Be0/2+, Mg0/2+, Ca0/2+).

124.

D.-B. Cao, F.-Q. Zhang, Y.-W. Li, J.-G. Wang, H. Jiao, J. Phys. Chem. B 2005, 109, 10922-10935. Structures and Energies of Co-adsorbed H2 and CO on Fe5C2(001), Fe5C2(100) and Fe5C2(110).

123.

S.-G. Wang, X.-D. Wen, D.-B. Cao, Y.-W. Li, J.-G. Wang, H. Jiao, Surf. Sci. 2005, 577, 69-76. Formation of Oxygen Vacancies on the TiO2(110) surface.

122.

C. Castro, Z. Chen,H Jiao, W. L. Karney, M. Mauksch, R. Puchta, N. R. J. R. van Eikema Hommes, P. v. R.; Schleyer, C. S. Wannere, J. Am. Chem. Soc. 2005, 127, 2425-2432. Investigation of a Patative Moebius Aromatic Hydrocarbon. The Effect of Benzannelation on Moebius [4n]Annulene Aromaticity.

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S.-P. Yuan, W. Shi, B. Li, J.-G. Wang, H. Jiao, Y.-W. Li, J. Phys. Chem. A 2005, 109, 2594-2601, Theoretical ONIOM2 Study of Pyridine Adsorptions in the Channels and Intersection of ZSM-5.

120.

N. Jiang, S.-P. Yuan, J.-G. Wang, Z.-F.; Qin, H. Jiao, Y.-W. Li, J. Mol. Cat. A 2005, 232, 59-67. An ONIOM study of amine adsorption in H-[Ga]MOR.

119.

H.-S. Wu, X.-F. Qin, X.-H. Xu, H. Jiao, P. v. R. Schleyer, J. Am. Chem. Soc. 2005, 127, 2334-2338. Structures and Energies of Isolobal (CH)n and (BCO)n Species.

118.

H.-S. Wu, X.-Y. Cui, X.-F. Qin, H. Jiao, J. Mol. Struct. (Theochem) 2005, 714/2-3, 153-155. Structure and Stability of Boron Nitrides: The Isomers of (BN)28 Cage.

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T. Zeng, X.-D. Wen, G.-S. Wu, Y.-W. Li, H. Jiao, J. Phys. Chem. B 2005, 109, 2846-2854. Density Functional Theory Study of CO Adsorption on Molybdenum Sulfide.

116.

C.-F. Huo, Y.-W. Li, M. Beller, H. Jiao, Chem. Eur. J. 2005, 11, 889-902. HCo(CO)3 Catalyzed Hydroformylation and Isomerization of Allene and Propyne. A Com­putational Study.

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D.-B. Cao, F.-Q. Zhang, Y.-W. Li, J.-G. Wang, H. Jiao, J. Phys. Chem. B 2005, 109, 833-844. Density functional Theory Study of Hydrogen Adsorption on the Fe5C2(001), Fe5C2(100), and Fe5C2(110) Surfaces.

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Y.-H. Chen, D.-B. Cao, J. Yang, Y.-W. Li, J.-G. Wang, H. Jiao, Chem. Phys. Lett. 2004, 400, 35-41. Density functional Theory Study of CO Adsorption on the Fe(111) Surface.

113.

F.-L. Gu, Z. Chen, H. Jiao, W.-Q. Tian, Y. Aoki, W. Thiel, P. v. R. Schleyer, Phys. Chem. Chem. Phys. 2004, 6, 4566-4570. Theoretical investigation of the non-linear optical properties and the IR, Raman, and NMR spectra of C48N12 azafullerene isomers,

112.

N. Jiang, S.-P. Yuan, J.-G. Wang, Z.-F. Qin, H. Jiao, Y.-W. Li, J. Mol. Cat. A 2004, 220, 221-228. A Theoretical Study of Amine Adsorptions in HMOR by using ONIOM Method.

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S. Klaus, H. Neumann, H. Jiao, A. J. von Wangelin, D. Gordes, D. Strubing, S. Hubner, M. Hateley, K. Weckbecker, T. Huthmacher, C. Riermeier, M. Beller, J. Organomet. Chem. 2004, 689, 3685-3700. Selective hydroalkoxycarbonylation of enamides to N-acyl amino acid esters: Synthetic applications and mechanistic studies.

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R. Jackstell, S. Harkal, H. Jiao, A. Spannenberg, C. Borgmann, D. Rotger, F. Nierlich, K. Cavell, S. Nolan, M. Beller, M. Chem. Eur. J. 2004, 10, 3891-3900. An Industrially Viable Catalyst System for Palladium-Catalyzed Telomerizations of 1,3-Butadiene with Alcohols.

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M. Beller, J. Seayad, A. Tillack, H. Jiao, Angew. Chem. Int. Ed. 2004, 43, 3368-3398. Angew. Chem. 2004, 116, 3448-3479; Catalytic Markovnikv and anti-Markovnikov Functionalization of Alkenes and Alkynes: Recent Developments and Trends.

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107.

S.-G. Wang, H. Jiao, J.-X. Lu, Y.-W. Li, M.-Y. He, J. Phys. Chem. B 2004, 108, 8359-8363. Adsorption of Ni8 clusters on regular and defect sites of the MgO(001) surface.

106.

D.-B. Cao, F.-Q. Zhang, Y.-W. Li, H. Jiao, J. Phys. Chem. B 2004, 108, 9094-9104. Density functional Theory Study of CO Adsorption on Fe5C2(001), -(100), and -(110) Surfaces.

105.

D. Gördes, A. Jacobi von Wangelin, S. Klaus, D. Strubing, H. Neumann, H. Jiao, W. Baumann, M. Beller, Org. Bioorg. Chem. 2004, 2, 845-851. From a spin-off to advantageous use in Diels-Alder reactions: A combined synthetic spectroscopic and computational approach to N-(dienyl)acylamines.

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A. Tillack, H. Jiao, I. G. Castro, M. Beller, Chem. Eur. J. 2004, 10, 2409-2420. A General Study of (η5-Cp')2Ti(η2-Me3SiC2SiMe3)-catalyzed Hydroamination of Terminal Alkynes: Regioselective Formation of Markovnikov and anti-Markovnikov Products and Mechanistic Explanation (Cp' = C5H5, C5H4Et, C5Me5).

103.

S.-G. Wang, H. Jiao, J.-X. Lu, Y.-W. Li, M.-Y. He, J. Mol. Struct. (Theochem) 2004, 673, 181-189. A detailed mechanism of thermal CO2 reforming of CH4.

102.

S.-P. Yuan, J.-G. Wang, Y.-W. Li, H. Jiao, J. Mol. Struct. (Theochem) 2004, 674, 267-274; Density functional investigations on Fe fitting and relative acidity on isomorphously substituted M-mordinate (M = B, Al, Ga, Fe).

101.

D.-B. Cao, Y.-H. Ding, Y.-W. Li, H. Jiao, J. Mol. Struct. (Theochem) 2004, 674, 177-183- Theoretical Study on the Potential Energy Surface of C2HF2O and C2F3O Radicals.

100.

H.-S. Wu, H. Jiao, Chem. Phys. Lett. 2004, 386, 369-372. What Is the Most Stable B24N24 Fullerene.

99.

Y. Mo, H. Jiao, P. v. R. Schleyer, J. Org. Chem. 2004, 69, 3493-3499.  Hyperconjugation effect in Substituted Methyl Boranes. An Orbital Deletion Procedure Study.

98.

B. Le Guennic, H. Jiao, S. Kahlal, J.-Y. Saillard, J.-F. Halet, A.-M. Beatty, A. L. Rheingold, T. P. Fehlner, J. Am. Chem. Soc. 2004, 126, 3203-3217. Synthesis and characterization of hypoelectronic rhenaboranes. Analysis of the geometric and electronic structures of species following neither borane nor metal cluster electron counting paradigms.

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C.-F. Huo, Y.-W. Li, M. Beller, H. Jiao, Organometallics 2004, 23, 2168-2178. Catalyzed chemoselective hydrogenation of acrolein. Density Functional Studies.

96.

Z. Chen, T. Heine, H. Jiao, A. Hirsch, W. Thiel, P. v. R. Schleyer, Chem. Eur. J. 2004, 10, 963-970. The Smallest Fullerene C20: From Monomer to Oligomer and Condensed Phase.

95.

C.-F. Huo, Y.-W. Li, M. Beller, H. Jiao, Organometallics 2004, 23, 765-773. Acetylene Hydroformylation with HCo(CO)3 As Catalyst. A Density Functional Study.

94.

E. D. Jemmis, A. K. Phukan, H. Jiao, U. Rosenthal, Organometallics 2003, 22, 4958-4965. Structure and Neutral Homoaromaticity of Metallacyclopentane, -pentene, -pentadiene, -pentyne and -pentatriene. A Density Functional Study.

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X.-Q. Yao, X.-J. Huo, H. Jiao, H.-W. Xiang, Y.-W. Li, J. Phys. Chem. A 2003, 107, 9991-9996. Accurate Calculations of Bond Dissociation Enthalpies with Density Functional Methods.

92.

C.-F. Huo, Y.-W. Li, M. Beller, H. Jiao, Organometallics 2003, 22, 4665-4677. HCo(CO)3 Catalyzed Propene Hydroformylation. Insight Into Detailed Mechanism.

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Z. Chen, H. Jiao, A. Hirsch, W. Thiel, P. v. R. Schleyer, J. Phys. Org. Chem. 2003, 16, 762-730. Aromatic Stabilization in Heterofullerene C48X12 (X = N, P, B, Si).

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G.-S. Wu, Y.-W. Li, H.-W. Xiang, Y.-Y. Xu, Y.-H. Sun, H. Jiao, J. Mol. Struct. (Theochem) 2003, 637, 101-107. Density Functional Investigation On Copper Carbonyl Complexes.

89.

H.-S. Wu, H. Jiao, Z. X. Wang, P. v. R. Schleyer, J. Am. Chem. Soc. 2003, 125, 10524-10525. Neutral Bishomoaromatic Semibullvalenes.

88.

H.-S. Wu, X.-H. Xu, F.-Q. Zhang, H. Jiao, J. Phys. Chem. A 2003, 107, 6609-6612. New Boron Nitride (B12N12)2 Nanotube.

87.

S.-P. Yuan, J.-G. Wang, Y.-W. Li, H. Jiao, J. Nat. Gas Chem. 2003, 12, 93-97. Density functional investigations into the adsorption of methanol on the isomorphously substituted ZSM-5.

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H. Jiao, K. Costuas, J. A. Gladysz, J.-F. Halet, M. Guillemot, L. Toupet, F. Paul, C. Lapinte, J. Am. Chem. Soc. 2003, 125, 9511-9522. Bonding and Electronic Structure in Consanguineous and Conjugal Iron and Rhenium sp Carbon Chain Complexes [MC4M′]n+: Computational Analyses of the Effect of the Metal.

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G.-S. Wu, Y.-H. Sun, Y.-W. Li, H. Jiao, H.-W. Xiang, Y.-Y. Xu, J. Mol. Struct. (Theochem) 2003, 626, 287-293. The nature of zirconia supported copper catalyst – Experimental and theoretical studies.

84.

A. Jacobi von Wangelin, H. Neumann, D. Gördes, S. Klaus, H. Jiao, A. Spannenberg, T. Kruger, C. Wendler, K. Thurow, N. Stoll, M. Beller, Chem. Eur. J. 2003, 9, 2273-2281. Unusual Coupling Reactions of Aldehydes and Alkynes: A Novel Preparation of Substituted Phthalic Acid Derivatives by Automated Synthesis.

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H.-S. Wu, H. Jiao, Z.-X. Wang, P. v. R. Schleyer, J. Am. Chem. Soc. 2003, 125, 4428-4429. Monocyclic Boron Carbonyls - Novel Aromatic Compounds.

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M. K. Cyranski, P. v. R. Schleyer, T. M. Krygowski, H. Jiao, G. Hohlneicher, Tetrahedron 2003, 59, 1657-1665. Facts and Artifacts about Aromatic Stability Estimation.

81.

Z. Chen, H. Jiao, D. Moran, A. Hirsch, W. Thiel, P. v. R. Schleyer, J. Phys. Chem. A 2003, 107, 2075-2079. Structures and stabilities of endohedral dodecahedrane complexes (X@C20H20, X = H+, H, N, P, C, Si, O+, S+).

80.

Z. Chen, H. Jiao, G. Seifert, A. Horn, D. Yu, T. Clark, W. Thiel, J. Comput. Chem. 2003, 24, 948-953. Do Si60 and Ge60 Have Fullerene-Like Cages?

79.

Y.-L. Zhu, H.-W. Xiang, Y-W. Li, H. Jiao, G-S. Wu, B. Zhong, G.-Q. Guo, New. J. Chem. 2003, 27, 208-210. Synthesis New Strategy for the Efficient Synthesis of 2-Methylfuran and γ-Butyrolactone.

78.

H. Jiao, H.-S. Wu, J. Org. Chem. 2003, 68, 1475-1479. Are Neutral Oxocarbons Stable?

77.

J. Holz, A. Monsees, H. Jiao, J. You, I. V. Komarov, K. Drauz, H.-P. Krimmer, A. Börner, J. Org. Chem. 2003, 68, 1701-170.; Synthesis of a new chiral bisphospholane ligand for the Rh(I) catalyzed enantioselective hydrogenation of isomeric β-acylamido acrylates.

76.

H.-S. Wu, F.-Q. Zhang, X.-H. Xu, C.-J. Zhang, H. Jiao, J. Phys. Chem. A 2003, 107, 204-209. Geometric and Energetic Aspects of Aluminum Nitride Cages.

75.

C.-F. Huo, Y.-W. Li, G.-S. Wu, M. Beller, H. Jiao, J. Phys. Chem. A 2002, 106, 12161-12169. Structures and Energy of [Co(CO)n]m (m = 0, 1+, 1): Density Functional Studies.

74.

D. L. Lichtenberger, N. E. Gruhn, A. Rai-Chaudhuri, S. K. Renshaw, J. A. Gladysz, H. Jiao, J. Seyler, A. Igau, Organometallics 2002, 22, 5494-5504. How do the Electronic Structures of Low-Symmetry Metal-Hydride and -Alkyl Complexes Compare? Photoelectron Spectroscopy and Computational Studies of (η5-C5R5)Re(NO)(L)(R’) [L = CO, P(C6H5)3; R= H, CH3].

73.

H. Jiao, Z. Chen, A. Hirsch, W. Thiel, J. Mol. Model. 2003, 9, 34-38. Structures and magnetic properties of mono doped fullerenes C59Xn and C59X(6–n)– (X = B, N, P, As, Si): Isoelectronic to the all carbon analogous C60 and C606–.

72.

Z. Chen, H. Jiao, A. Hirsch, P. v. R. Schleyer, Angew. Chem. Int. Ed. 2002, 41, 4309-4312. Angew. Chem. 2002, 114, 4485-4488. Spherical Homoaromaticity.

71.

H. Jiao, Z. Chen, A. Hirsch, W. Thiel, Phys. Chem. Chem. Phys. 2002, 4, 4916-4920. Oxa- and Thia-Fullerenes (C59O, C59S): Closed or Opened Cages?

70.

S.-P. Yuan, J.-G. Wang, Y.-W. Li, H. Jiao, J. Phys. Chem. A 2002, 106, 8167-8172. Brønsted acidity of isomorphously substituted ZSM-5 by B, Al, Ga and Fe. Density functional investigations.

69.

Z. Chen, H. Jiao, A. Hirsch, in “Fullerenes: From Synthesis to Optoelectronic Applications” D. M. Guldi, N. Martin (Ed), Kluwer Academic Publisher, 2002.  Spherical Aromaticity - An Overwiew,

68.

X.-Q. Yao, X.-J. Hou, G.-S. Wu, Y.-Y. Xu, H.-W. Xiang, H. Jiao, Y.-W. Li, J. Phys. Chem. A 2002, 106, 7184-7189. Estimation of C-C bond dissociation enthalpies of large aromatic hydrocarbon compounds using DFT methods.

67.

H. Jiao, N. J. R. van Eikema Hommes, P. v. R. Schleyer, Org. Lett. 2002, 4, 2393-2396. Can Bridged 1,6-X-[10]Annulenes (X = SiH2, SiMe2, PH and S) Exist?

66.

J. Ejfler, S. Szafert, H. Jiao, P. Sobota, New J. Chem. 2002, 26, 803-805. Synthesis of new hexacoordinate germanium(IV) complexes. Crystal structures and properties of [GeCl4(TMEDA)] and [GeCl2(N3)2(TMEDA)].

65.

S F. tahl, P. v. R. Schleyer, H. Jiao, H. F. Schaefer III, K.-S. Chen, N. L. Allinger, J. Org. Chem. 2002, 67, 6599-6611. Resurrection of Neutral Tri-homoaromaticity.

64.

R. W. A. Havenith, H. Jiao, L. W. Jenneskens, v. J. H. Lenthe, M. Sarobe, P. v. R. Schleyer, M. Kataoka, A. Necula, L. T. Scott, J. Am. Chem. Soc. 2002, 124, 2363-2370. Stability and Aromaticity of the Cyclopenta-Fused Pyrene Congeners.

63.

H. Jiao, S. Le Stang, T. Soós, R. Meier, K. Kowski, P. Rademacher, L. Jafarpour, J.-B. Hamard, S. P. Nolan, J. A. Gladysz, J. Am. Chem. Soc. 2002, 124, 1516-1523. How to Insulate a Reactive Site from a Perfluoroalkyl Group: Photoelectron Spectroscopy, Calorimetric, and Computational Studies of Long-Range Electronic Effects in Fluorous Phosphines P((CH2)m(CF2)7CF3)3.

62.

D. L. Lichtenberger, N. E. Gruhn, A. Rai-Chaudhuri, S. K. Renshaw, J. A. Gladysz, H. Jiao, J. Seyler, A. Igau, J. Am. Chem. Soc. 2002, 124, 1417-1423. Vibrational Progressions in the Valence Ionizations of Transition Metal Hydrides: Evaluation of Metal-Hydride Bonding and Vibrations in CpRe(NO)(CO)H [Cp = (η5-C5H5), (η5-C5(CH3)5)],

61.

Z. Chen, H. Jiao, M. Bühl, A. Hirsch, W. Thiel, Theor. Chem Acc. 2001, 106, 352-363. Theoretical Investigation into Structures and Magnetic Properties of small Fullerenes and their Heteroanalogoues.

60.

P. v. R. Schleyer, M. Manoharan, Z.-X. Wang, B. Kiran, H. Jiao, R. Puchta, N. J. R. van E. Hommes, Org. Lett. 2001, 3, 2465-2468. Dissected Nucleus-Independent Chemical Shift Analysis of Aromaticity and Antiaromaticity.

59.

P. v. R. Schleyer, M. Manoharan, H. Jiao, F. Stahl, Org. Lett. 2001, 3, 3643-3646. The Acenes: Is There Relationship Between Aromatic Stabilization and Reactivity?

58.

H. Jiao, Y.-W. Li, B. Delmon, J.-F. Halet, J. Am. Chem. Soc. 2001, 123, 7334-7339. The Structure and Possible Catalytic Sites of Mo3S9 as a Model of Amorphous Molybdenum Trisulfide: A Computational Study,

57.

Z. Chen, H. Jiao, A. Hirsch, W. Thiel, J. Mol. Model. 2001, 5, 161-163. The 2(N+1)2 rule for spherical aromaticity: Further Validation.

56.

H. Jiao, J.-H. Halet, J. A. Gladysz, J. Org. Chem. 2001, 66, 3902-3905. Structures and Energies of 10-Azatriquinacene and Its Hydrogenation Products: A Computational Study.

55.

A. Hirsch, Z. Chen, H. Jiao, Angew. Chem. Int. Ed. 2001, 40, 2834-2838; Spherical Aromaticity of Inorganic Cage Molecules.

54.

Z. Chen, H. Jiao, A. Hirsch, W. Thiel, J. Org. Chem. 2001, 66, 3380-3383. BN-doped fullerenes: A NICS Characterization.

53.

H. Jiao, G. Frapper, J.-F. Halet, J.-Y. Saillard, J. Phys. Chem. A 2001, 105, 5945-5947. The stability of tetraoxocyclobutane revised: perturbation theory and density functional scheme.

52.

W. Mohr, G. A. Stark, H. Jiao, J. A. Gladysz, Eur. J. Inorg. Chem. 2001, 925-933. New chiral cyclopentadienyl rhenium Lewis acids featuring fluorinated triaryl phosphines and enhanced acceptor abilities; an unusual carbon-fluorine bond activation in a metal coordination sphere.

51.

H. Jiao, J. A. Gladysz, New J. Chem. 2001, 25, 551-562. Metal-metal-interaction across bridging elemental carbon chains: A computational study of odd-carbon complexes.

50.

Z. Chen, H. Jiao, A. Hirsch, W. Thiel, Chem. Phys. Lett. 2000, 329, 47-51. Fullerenes C36n (n = 0, 2+, 2–) and its B- and N-doped analogues.

49.

J. LeBras, H. Jiao, W. E. Meyer, F. Hampel, J. A. Gladysz, J. Organomet. Chem. 2000, 616, 54-66. Synthesis, crystal structure, and reaction of the 17-electron rhenium methyl complex [(η5-C5Me5)Re(NO)(P(4-C6H4CH3)3(CH3))•+ B(3,5-C6H3(CF3)2)4: experimental and computational bonding comparisons with 18-electron methyl and methylidene complexes.

48.

A. Hirsch, Z. Chen, H. Jiao, Angew. Chem. Int. Ed. 2000, 39, 3915-3917. Spherical Aromaticity in Ih symmetrical Fullerenes: The 2(N+1)2 Rule; Angew. Chem. 2000, 112, 4079-4081. Sphärische Aromatizität in Ih symmetrischen Fullerenen: Die 2(N+1)2-Regel.

47.

P. v. R. Schleyer, K. Najafian; B. Kiran, H. Jiao, J. Org. Chem. 2000, 65, 426-431. Are Oxocarbon Dianions Aromatic?

46.

A. A. Fokin, B. Kiran, M. Bremer, X. Yang, H. Jiao, P. v. R. Schleyer, P. R. Schreiner, Chem. Eur. J. 2000, 6, 1615-1628. Which Electron Count Rules Are Needed for Four-Center Three-Dimensional Aromaticity?

45.

F. Paul, W. E. Meyer, L. Toupet, H. Jiao, J. A. Gladysz, C. Lapinte, J. Am. Chem. Soc. 2000, 122, 9405-9414. A Conjugal Consanguineous Family of Butadiynediyl-Derived Complexes; Synthesis and Electronic Ground states of Neutral, Radical Cationic and Dicationic Iron/Rhenium C4 Species.

44.

A. de Meijere, V. Chaplinski, M. A. Kunnetsov, P. Rademacher, R. Boese, T. Haumann, M. Treatteberg, P. v. R. Schleyer, T. Zywietz, H. Jiao, P. Merstetter, F. Gerson, Angew. Chem. Int. Ed. 1999, 38, 2430-2433. Tricyclopropylamine and its Radical Cation; Angew. Chem. 1999, 111, 2582-2585. Tricyclopropylamin und sein Radikalkation.

43.

K. Wakita, N. Tokitoh, R. Okazaki, S. Nagase, P. v. R. Schleyer, H. Jiao, J. Am. Chem. Soc. 1999, 121, 11336-11344. Synthesis of Stable 2-Silanaphthalenes and Their Aromaticity.

42.

F. P. Cossío, I. Morao, H. Jiao, P. v. R. Schleyer, J. Am. Chem. Soc. 1999, 121, 6737-6746. In-Plane Aromaticity in 1,3-Dipolar Cycloadditions: Solvent Effects, Selectivity, and Nucleus -Independent Chemical Shifts (NICS).

41.

S. P. Verevkin, H.-D. Beckhaus, C. Rückhardt, R. Haag, S. I. Kozhushkov, T. Zywietz, A. de Meijere, H. Jiao, P. v. R. Schleyer, J. Am. Chem. Soc. 1998, 120, 11130-11135. An Experimental Thermochemical and Theoretical Study of Triquinancene: Definitive Disproof of its Neutral Homoaromaticity.

40.

J. M. Schulman, R. L. Disch, H. Jiao, P. v. R. Schleyer, J. Phys. Chem. A 1998, 102, 8051-8055. Chemical Shifts of the [N]Phenylenes and Related Compounds,

39.

A. A. Fokin, H. Jiao, P. v. R. Schleyer, J. Am. Chem. Soc. 1998, 120, 9364-9365. From Dodecahedrapentaene to the "[n]Trannulenes". A New Family of In-Plane [n]Annulenes.

38.

H. Jiao, P. v. R. Schleyer, J. Phys. Org. Chem. 1998, 11, 655-662. Aromaticity of Pericyclic Reaction Transition Structures: Magnetic Evidence.

37.

M. Nendel, K. N. Houk, L. M. Tolbert, E. Vogel, H. Jiao, P. v. R. Schleyer, J. Phys. Chem. A 1998, 102, 7191-7198. Bond Length Alternation and Aromatic Character in Cyclic Polyenes: Assessment of Theoretical Methods for Computing the Structures and Energies of Bismethano[14]annulenes.

36.

M. Mauksch, V. Gogonea, H. Jiao, P. v. R. Schleyer, Angew. Chem. Int. Ed. Engl. 1998, 37, 2395-2397. Angew. Chem. 1998, 110, 2515-2517. The Remarkable Nature of the Monocyclic C9H9+ Cation. A Heilbronner Möbius Aromatic System Revealed.

35.

T. Zywietz, H. Jiao, P. v. R. Schleyer, A. de Meijere, J. Org. Chem. 1998, 63, 3417-3422. Aromaticity and Antiaromaticity in Oligocyclic Annelated Five-Membered Ring Systems.

34.

Y. Mo, H. Jiao, P. v. R. Schleyer, Z. Lin, Chem. Phys. Lett. 1998, 289, 383-390; Application of the Orbital Deletion Procedure (ODP) to Planar Carbocations.

33.

F.-L. Gu, X. Yang, A.-C. Tang, H. Jiao, P. v. R. Schleyer, J. Comput. Chem. 1998, 19, 203-214. Structure and Stability of B13+ Clusters.

32.

X. Yang, H. Jiao, P. v. R. Schleyer, Inorg. Chem. 1997, 36, 4897-4899. Structures of the 12-vertex oxa- and thia-nido-dodecaboradates.

31.

Y. Mo, P. v. R. Schleyer, H. Jiao, Z. Lin, Chem. Phys. Lett. 1997, 280, 439-443. Quantitative evaluation of hyperconjugation in the cyclopropylcarbinyl Cation and in Cyclopropylborane.

30.

P. v. R. Schleyer, H. Jiao, N. J. R. van E. Hommes, V. G. Malkin, O. Malkin, J. Am. Chem. Soc. 1997, 119, 12669-2670. An Evaluation of the Aromaticity of Inorganic Rings: Evidence from Magnetic properties.

29.

H. Jiao, P. v. R. Schleyer, B. R. Beno, K. N. Houk, R. Warmuth, Angew. Chem. Int. Ed. Engl. 1997, 36, 2761-2764. Theoretical Studies of the Structure, Aromaticity, and Magnetic Properties of o-Benzyne; Angew. Chem. 1997, 109, 2929-2933. Theoretische Studien zu Struktur, Aromatizität und magnetischen Eigenschaften von 1,2-Didehydrobenzol.

28.

N. Tokitoh, K. Wakita, R. Okazaki, S. Nagase, P. v. R. Schleyer, H. Jiao, J. Am. Chem. Soc. 1997, 119, 6951-6952. A Stable Neutral Silaaromatic Compound, 2-{2,4,6-Tris[bis(trimethylsily)-methyl]phenyl}-2-silarnaphthalene.

27.

H. Jiao, P. v. R. Schleyer, Y. Mo, M. A. McAllister, T. T. Tidwell, J. Am. Chem. Soc. 1997, 119, 7075-7083. Magnetic Evidence for the Aromaticity and Antiaromaticity of Charged Fluorenyl, Indenyl and Cyclopentadienyl Systems.

26.

H. Jiao, R. Nagelkerke, H. A. Kurtz, R. V. Williams, W. T. Borden, P. v. R. Schleyer, J. Am. Chem. Soc. 1997, 119, 5921-5929. Annelated Semibullvalenes: A Theoretical Study of How They "Cope" with Strain.

25.

G. Subramanian, P. v. R. Schleyer, H. Jiao, Organometallics 1997, 16, 2362-2369. Aromaticity of Annelated Borepins.

24.

M. Nendel, K. N. Houk, L. M. Tolbert, E. Vogel, H. Jiao, P. v. R. Schleyer, Angew. Chem. Int. Ed. Engl. 1997, 36, 748-750. The Bond Localization Energies in the Aromatic Bismethano[14]annulenes; Angew. Chem. 1997, 109, 768-771. Die Bindungslokalisierungsenergien der aromatischen Bismethano[14]annulene.

23.

P. v. R. Schleyer, G. Subramanian, H. Jiao, K. Najafian, M. Hofmann, Are Boran Compounds Aromatic? in Advances in Boron Chemistry, W. Siebert (Ed), The Royal Society of Chemistry, 1997, p 3-14.

22.

G. Subramanian, P. v. R. Schleyer, H. Jiao, Angew. Chem. Int. Ed. Engl. 1996, 35, 2638-2641; Are the Most Stable Fused Heterobicyclics the Most Aromatic? Angew. Chem. 1996, 108, 2824-2827. Sind die stabilisten Heterobicyclen auch am meisten aromatisch?

021.

M. N. Glukhovtsev, H. Jiao, P. v. R. Schleyer, Inorg. Chem. 1996, 35, 7124-7133. Besides N2, What is the Most Stable Molecules Composed only of Nitrogen Atoms.

20.

H. Jiao, P. v. R. Schleyer, M. N. Glukhovtsev, J. Phys. Chem. 1996, 100, 12299-12304. Are the Dmh symmetric Hxq rings with (4n+2) σ-electrons and hydrogen clusters aromatic?

19.

H. Jiao, P. v. R. Schleyer, Angew. Chem. Int. Ed. Engl. 1996, 35, 2383-2386. Is Kekulene really superaromatic? Angew. Chem. 1996, 108, 2373-2376. Ist Kekulen wirklich Superaromatisch?

18.

P. v. R. Schleyer, C. Maerker, A. Dransfeld, H. Jiao, N. J. R. van E. Hommes, J. Am. Chem. Soc. 1996, 118, 6317-6318. Nucleus Independent Chemical Shifts (NICS): A Simple and Efficient Aromaticity Probe.

17.

R. Haag, D. Schröder, T. Zywietz, H. Jiao, H. Schwarz, P. v. R. Schleyer, A. de Meijere, Angew. Chem. Int. Ed. Engl. 1996, 35, 1317-1319. The Long Elusive Acepentalene - Experimental and Theoretical Evidence for its Existence; Angew. Chem. 1996, 108, 1413-1416. Das lange nicht faßbare Acepentalen-experimentelle und theoretische Belege für seine Existenz.

16.

H. Jiao, N. J. R. van E. Hommes, P. v. R. Schleyer, A. de Meijere, J. Org. Chem. 1996, 61, 2826-2828. [5]Pericyclynes Are Not Homoaromatic.

15.

P. v. R. Schleyer, H. Jiao, Pure Appl. Chem. 1996, 68, 209-218. What Is Aromaticity?

14.

P. v. R. Schleyer, H. Jiao, H. M. Sulzbach, H. F. Schaefer III, J. Am. Chem. Soc. 1996, 118, 2093-2094. Highly Aromatic Planar all-cis-[10]Annulenes Derivatives.

13.

H. Jiao, P. v. R. Schleyer, J. Am. Chem. Soc. 1995, 117, 11529-11535. Electrostatic Acceleration of Electrocyclic Reactions by Metal Cation Complexation: the Cyclization of 1,3-cis-5-Hexatriene to 1,3-Cyclohexadiene and the 1,5-Hydrogen Shift in Cyclopentadiene. The Aromaticity of the Transition Structures.

12.

H. M. Sulzbach, P. v. R. Schleyer, H. Jiao, Y. Xie, H. F. Schaefer III. J. Am. Chem. Soc. 1995, 117, 1369-1373. A [10]Annulene Isomer May Be Aromatic, After All.

11.

H. Jiao, P. v. R. Schleyer, Angew. Chem. Int. Ed. Engl. 1995, 34, 334-337. The Cope Rearrangement Transition Structure is not Diradicaloid, but is It Aromatic? Angew. Chem. 1995, 107, 332-335. Der Übergangszustand der Cope-Umlagerung is nicht diradikalisch; ist er vielleicht aromatisch?

10.

P. v. R. Schleyer, P. Freeman, H. Jiao, B. Goldfuss, Angew. Chem. Int. Ed. Engl. 1995, 34, 337-340. Aromaticity and Antiaromaticity in Five-Membered C4H4X Ring Systems: "Classical" and "Magnetic" Concepts may not be "Orthogonal"; Angew. Chem. 1995, 107, 332-335. Aromatizität und Antiaromatizität in fünfgliedrigen C4H4X-Ringsystemen: beschreibbar durch "klassische" und magnetische" Konzepte.

9.

H. Jiao, P. v. R. Schleyer, Antiaromaticity: Evidence from Magnetic Criteria, AIP Conferences 330, E.C.C.C.1, Computational Chemistry. Bernardi, F.; Rivail, J.-L. Ed; Amer. Inst. Physics, Woodbury, New York, 1995, p 107.

8.

P. v. R. Schleyer, H. Jiao, M. N. Glukhovtsev, J. Chandrasehkar, E. Kraka, J. Am. Chem. Soc. 1994, 116, 10129-10134. Double Aromaticity in the 3,5-Dehydrophenyl Cation and in Cyclo[6]carbon.

7.

H. Jiao, P. v. R. Schleyer, J. Am. Chem. Soc. 1994, 116, 7429-7430. Large Effects of Medium on Geometries. An Ab Initio Study.

6.

M. Bühl, W. Thiel, H. Jiao, P. v. R. Schleyer, M. Saunders, F. A. L. Anet, J. Am. Chem. Soc. 1994, 116, 6005-6006. Helium and Lithium NMR Chemical Shifts of Endohedral Fullerene Compounds: An ab Initio Study.

5.

R. Herges, H. Jiao, P. v. R. Schleyer, Angew. Chem. Int. Ed. Engl. 1994, 33, 1376-1378. Magnetic Properties of Aromatic Transition States: The Diels-Alder Reactions. Angew. Chem. 1994, 106, 1441-1444. Magnetische Eigenschaften von aromatischen Übergangszuständen: Die Diels-Alder Reaktionen.

4.

H. Jiao, P. v. R. Schleyer, J. Chem. Soc. Faraday Trans. 1994, 90, 1559-1568. Electrostatic Acceleration of the 1,5-H Shifts in Cyclopentadiene and in 1,3-Pentadiene by Li+ Complexation: Aromaticity of the Transition Structures.

3.

H. Jiao, P. v. R. Schleyer, J. Chem. Soc. Perkin Trans. 2 1994, 407-410. Evidence for the Möbius Aromatic Character of Eight π Electron Conrotatory Transition Structure. Magnetic Criteria.

2.

H. Jiao, P. v. R. Schleyer, Angew. Chem. Int. Ed. Engl. 1993, 32, 1763-1765. A Detailed Theoretical Analysis of the 1,7-Sigmatropic Hydrogen Shift. The Eight-Electron Möbius Character of the Transition Structure; Angew. Chem. 1993, 105, 1833-1835. Eine detalierte theoretische Analyse der 1,7-sigmatropen Wasserstoffverschiebung: der Möbius-Charakter des Acht-Elektron-Übergangszustandes.

1.

H. Jiao, P. v. R. Schleyer, Angew. Chem. Int. Ed. Engl. 1993, 32, 1760-1763. Elimination of the Cope Rearrangement Barrier in Semibullvalene by Li+ Complexation; Angew. Chem. 1993, 105, 1830-1833. Die Cope-Umlagerung in Semibullvalen: Elimierung der Aktivierungsbarrier durch Li+-Komplexierung.