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Haijun Jiao - Publications

Affiliations: 
Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen, Bavaria, Germany 
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Year Citation  Score
2024 Huang J, Klahn M, Tian X, Bartling S, Zimina A, Radtke M, Rockstroh N, Naliwajko P, Steinfeldt N, Peppel T, Grunwaldt JD, Logsdail AJ, Jiao H, Strunk J. Fundamental Structural and Electronic Understanding of Palladium Catalysts on Nitride and Oxide Supports. Angewandte Chemie (International Ed. in English). e202400174. PMID 38466808 DOI: 10.1002/anie.202400174  0.57
2022 Zhao D, Tian X, Doronkin DE, Han S, Kondratenko VA, Grunwaldt JD, Perechodjuk A, Vuong TH, Rabeah J, Eckelt R, Rodemerck U, Linke D, Jiang G, Jiao H, Kondratenko EV. Author Correction: In situ formation of ZnO species for efficient propane dehydrogenation. Nature. PMID 34992292 DOI: 10.1038/s41586-021-04285-6  0.528
2021 Huang W, Tian X, Jiao H, Jackstell R, Beller M. Iridium-catalyzed Domino Hydroformylation/Hydrogenation of Olefins to Alcohols: Synergy of Two Ligands. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 34890092 DOI: 10.1002/chem.202104012  0.558
2021 Zhao D, Tian X, Doronkin DE, Han S, Kondratenko VA, Grunwaldt JD, Perechodjuk A, Vuong TH, Rabeah J, Eckelt R, Rodemerck U, Linke D, Jiang G, Jiao H, Kondratenko EV. In situ formation of ZnO species for efficient propane dehydrogenation. Nature. 599: 234-238. PMID 34759363 DOI: 10.1038/s41586-021-03923-3  0.564
2019 Fokin AA, Kiran B, Bremer M, Yang X, Jiao H, Schreiner PR. Which electron count rules are needed for four-center three-dimensional aromaticity? Chemistry (Weinheim An Der Bergstrasse, Germany). 6: 1615-28. PMID 10839179 DOI: 10.1002/(Sici)1521-3765(20000502)6:9<1615::Aid-Chem1615>3.3.Co;2-F  0.648
2017 Tian X, Wang T, Jiao H. Mechanism of coverage dependent CO adsorption and dissociation on the Mo(100) surface. Physical Chemistry Chemical Physics : Pccp. PMID 28045154 DOI: 10.1039/c6cp08129k  0.583
2016 Wang T, Tian X, Yang Y, Li YW, Wang J, Beller M, Jiao H. Structures of seven molybdenum surfaces and their coverage dependent hydrogen adsorption. Physical Chemistry Chemical Physics : Pccp. PMID 26838012 DOI: 10.1039/C5Cp07349A  0.605
2015 Liu S, Tian X, Wang T, Wen X, Li YW, Wang J, Jiao H. Coverage dependent water dissociative adsorption on Fe(110) from DFT computation. Physical Chemistry Chemical Physics : Pccp. 17: 8811-21. PMID 25743027 DOI: 10.1039/C5Cp00044K  0.616
2015 Wang T, Tian X, Yang Y, Li YW, Wang J, Beller M, Jiao H. Coverage dependent adsorption and co-adsorption of CO and H₂ on the CdI₂-antitype metallic Mo₂C(001) surface. Physical Chemistry Chemical Physics : Pccp. 17: 1907-17. PMID 25474365 DOI: 10.1039/C4Cp04331F  0.587
2014 Tian X, Wang T, Yang Y, Li YW, Wang J, Jiao H. Structures and energies of Cu clusters on Fe and Fe3C surfaces from density functional theory computation. Physical Chemistry Chemical Physics : Pccp. 16: 26997-7011. PMID 25379628 DOI: 10.1039/c4cp04012k  0.573
2011 Zhang XM, Lv J, Ji F, Wu HS, Jiao H, Schleyer Pv. A perfectly square-planar tetracoordinated oxygen in a tetracopper cluster-based coordination polymer. Journal of the American Chemical Society. 133: 4788-90. PMID 21381742 DOI: 10.1021/Ja201525A  0.479
2010 Jemmis ED, Roy S, Burlakov VV, Jiao H, Klahn M, Hansen S, Rosenthal U. Are Metallocene−Acetylene (M = Ti, Zr, Hf) Complexes Aromatic Metallacyclopropenes?∥ Organometallics. 29: 76-81. DOI: 10.1021/Om900743G  0.486
2008 Chen Z, Jiao H, Wu JI, Herges R, Zhang SB, Schleyer Pv. Homobenzene: homoaromaticity and homoantiaromaticity in cycloheptatrienes. The Journal of Physical Chemistry. A. 112: 10586-94. PMID 18826196 DOI: 10.1021/Jp802496M  0.649
2005 Castro C, Chen Z, Wannere CS, Jiao H, Karney WL, Mauksch M, Puchta R, Hommes NJ, Schleyer Pv. Investigation of a putative mobius aromatic hydrocarbon. The effect of benzannelation on mobius [4n]annulene aromaticity. Journal of the American Chemical Society. 127: 2425-32. PMID 15724997 DOI: 10.1021/Ja0458165  0.716
2005 Wu HS, Qin XF, Xu XH, Jiao H, Schleyer PV. Structures and energies of isolobal (BCO)n and (CH)n cages. Journal of the American Chemical Society. 127: 2334-8. PMID 15713113 DOI: 10.1021/Ja046740F  0.516
2004 Chen Z, Heine T, Jiao H, Hirsch A, Thiel W, Schleyer Pv. Theoretical studies on the smallest fullerene: from monomer to oligomers and solid States. Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 963-70. PMID 14978823 DOI: 10.1002/Chem.200305538  0.533
2003 Chen Z, Jiao H, Seifert G, Horn AH, Yu D, Clark T, Thiel W, von Ragué Schleyer P. The structure and stability of Si60 and Ge60 cages: a computational study. Journal of Computational Chemistry. 24: 948-53. PMID 12720315 DOI: 10.1002/Jcc.10266  0.372
2003 Jemmis ED, Phukan AK, Jiao H, Rosenthal U. Structure and Neutral Homoaromaticity of Metallacyclopentene, -pentadiene, -pentyne, and -pentatriene: A Density Functional Study Organometallics. 22: 4958-4965. DOI: 10.1021/Om034161Y  0.506
2002 Stahl F, Schleyer PV, Jiao H, Schaefer III HF, Chen KH, Allinger NL. Resurrection of neutral tris-homoaromaticity. The Journal of Organic Chemistry. 67: 6599-611. PMID 12227787 DOI: 10.1021/Jo016358A  0.535
2002 Havenith RW, Jiao H, Jenneskens LW, van Lenthe JH, Sarobe M, Schleyer Pv, Kataoka M, Necula A, Scott LT. Stability and aromaticity of the cyclopenta-fused pyrene congeners. Journal of the American Chemical Society. 124: 2363-70. PMID 11878993 DOI: 10.1021/Ja011538N  0.499
1994 Schleyer PvR, Jiao H, Glukhovtsev MN, Chandrasekhar J, Kraka E. Double Aromaticity in the 3,5-Dehydrophenyl Cation and in Cyclo[6]carbon Journal of the American Chemical Society. 116: 10129-10134. DOI: 10.1021/Ja00101A035  0.512
1994 Buehl M, Thiel W, Jiao H, Schleyer PvR, Saunders M, Anet FAL. Helium and Lithium NMR Chemical Shifts of Endohedral Fullerene Compounds: An ab Initio Study Journal of the American Chemical Society. 116: 6005-6006. DOI: 10.1021/ja00092a076  0.596
Low-probability matches (unlikely to be authored by this person)
2014 Liu S, Tian X, Wang T, Wen X, Li Y, Wang J, Jiao H. High Coverage Water Aggregation and Dissociation on Fe(100): A Computational Analysis Journal of Physical Chemistry C. 118: 26139-26154. DOI: 10.1021/Jp5081675  0.293
2006 Wen X, Zeng T, Teng B, Zhang F, Li Y, Wang J, Jiao H. Hydrogen adsorption on a Mo27S54 cluster: A density functional theory study Journal of Molecular Catalysis a-Chemical. 249: 191-200. DOI: 10.1016/J.Molcata.2006.01.018  0.28
2020 Li T, Wen X, Yang Y, Li Y, Jiao H. Mechanistic aspects of CO activation and C-C bond formation on the Fe/C- and Fe-terminated Fe3C(010) surfaces Acs Catalysis. 10: 877-890. DOI: 10.1021/Acscatal.9B04433  0.279
2019 Guo CH, Yang D, Liu X, Zhang X, Jiao H. Exploring the mechanism of alkene hydrogenation catalyzed by defined iron complex from DFT computation. Journal of Molecular Modeling. 25: 61. PMID 30747286 DOI: 10.1007/s00894-019-3942-6  0.267
2014 Wang T, Wang S, Luo Q, Li YW, Wang J, Beller M, Jiao H. Hydrogen adsorption structures and energetics on iron surfaces at high coverage Journal of Physical Chemistry C. 118: 4181-4188. DOI: 10.1021/Jp410635Z  0.266
2005 Cao DB, Zhang FQ, Li YW, Wang J, Jiao H. Density functional theory study of hydrogen adsorption on Fe5C2(001), Fe5C2(110), and Fe5C2(100). The Journal of Physical Chemistry. B. 109: 833-44. PMID 16866449 DOI: 10.1021/jp046239+  0.265
1994 Jiao H, Schleyer PVR. Introductory lecture. Electrostatic acceleration of the 1,5-H shifts in cyclopentadiene and in penta-1,3-diene by Li+ complexation: Aromaticity of the transition structures Journal of the Chemical Society, Faraday Transactions. 90: 1559-1567. DOI: 10.1039/FT9949001559  0.261
2014 Wang T, Luo Q, Li YW, Wang J, Beller M, Jiao H. Stable surface terminations of orthorhombic Mo2C catalysts and their CO activation mechanisms Applied Catalysis a: General. 478: 146-156. DOI: 10.1016/J.Apcata.2014.03.042  0.26
2006 Ren J, Huo CF, Wen XD, Cao Z, Wang J, Li YW, Jiao H. Thiophene adsorption and activation on MoP(001), gamma-Mo2N(100), and Ni2P(001): density functional theory studies. The Journal of Physical Chemistry. B. 110: 22563-9. PMID 17092002 DOI: 10.1021/Jp0640474  0.256
2020 Liu C, Zhu L, Wen X, Yang Y, Li Y, Jiao H. Hydrogen Adsorption on Ir(111), Ir(100) and Ir(110)—Surface and Coverage Dependence Surface Science. 692: 121514. DOI: 10.1016/J.Susc.2019.121514  0.254
1996 Glukhovtsev MN, Jiao H, Schleyer PR. Besides N(2), What Is the Most Stable Molecule Composed Only of Nitrogen Atoms? Inorganic Chemistry. 35: 7124-7133. PMID 11666896 DOI: 10.1021/ic9606237  0.253
2014 Wang T, Li YW, Wang J, Beller M, Jiao H. Dissociative hydrogen adsorption on the hexagonal Mo2C phase at high coverage Journal of Physical Chemistry C. 118: 8079-8089. DOI: 10.1021/Jp501471U  0.253
2018 Li T, Wen X, Li Y, Jiao H. Mechanisms of CO Activation, Surface Oxygen Removal, Surface Carbon Hydrogenation, and C–C Coupling on the Stepped Fe(710) Surface from Computation The Journal of Physical Chemistry C. 122: 15505-15519. DOI: 10.1021/Acs.Jpcc.8B04265  0.252
2014 Luo Q, Wang T, Walther G, Beller M, Jiao H. Molybdenum carbide catalysed hydrogen production from formic acid - A density functional theory study Journal of Power Sources. 246: 548-555. DOI: 10.1016/J.Jpowsour.2013.07.102  0.252
2019 Li T, Wen X, Li Y, Jiao H. Surface Carbon Hydrogenation on Precovered Fe(110) with Spectator-Coverage-Dependent Chain Initiation and Propagation Journal of Physical Chemistry C. 123: 25657-25667. DOI: 10.1021/Acs.Jpcc.9B06745  0.25
2016 Wei Z, Chen YY, Li J, Guo W, Wang S, Dong M, Qin Z, Wang J, Jiao H, Fan W. Stability and Reactivity of Intermediates of Methanol Related Reactions and C-C Bond Formation over H-ZSM-5 Acidic Catalyst: A Computational Analysis Journal of Physical Chemistry C. 120: 6075-6087. DOI: 10.1021/acs.jpcc.6b00211  0.25
2005 Cao DB, Zhang FQ, Li YW, Wang J, Jiao H. Structures and energies of coadsorbed CO and H2 on Fe5C2(001), Fe5C2(110), and Fe5C2(100). The Journal of Physical Chemistry. B. 109: 10922-35. PMID 16852330 DOI: 10.1021/jp050940b  0.25
2005 Huo CF, Li YW, Wang J, Jiao H. Surface structure and energetics of hydrogen adsorption on the Fe(111) surface. The Journal of Physical Chemistry. B. 109: 14160-7. PMID 16852778 DOI: 10.1021/jp051907s  0.25
2001 Jiao H, Gladysz JA. Metal-metal interactions across bridging elemental carbon chains: A computational study of odd-carbon complexes New Journal of Chemistry. 25: 551-562. DOI: 10.1039/B008786F  0.249
2007 Yuan S, Shi W, Li B, Wang J, Jiao H, Li YW. Theoretical ONIOM2 study on pyridine adsorption in the channels and intersection of ZSM-5. The Journal of Physical Chemistry. A. 109: 2594-601. PMID 16833564 DOI: 10.1021/JP045979F  0.248
2019 Zhu L, Liu C, Wen X, Li Y, Jiao H. Molecular or dissociative adsorption of water on clean and oxygen pre-covered Ni(111) surfaces Catalysis Science & Technology. 9: 199-212. DOI: 10.1039/C8Cy02198H  0.247
2006 Wen XD, Cao Z, Li YW, Wang J, Jiao H. Structure and energy of Mo27SxCy clusters: a density functional theory study. The Journal of Physical Chemistry. B. 110: 23860-9. PMID 17125352 DOI: 10.1021/Jp063323B  0.245
2007 Huang DM, Cao DB, Li YW, Jiao H. Density function theory study of CO adsorption on Fe3O4(111) surface. The Journal of Physical Chemistry. B. 110: 13920-5. PMID 16836342 DOI: 10.1021/JP0568273  0.245
2019 Qin Q, Zhao Y, Schmallegger M, Heil T, Schmidt J, Walczak R, Gescheidt-Demner G, Jiao H, Oschatz M. Enhanced electrocatalytic N2 reduction via partial anion substitution in titanium oxide-carbon composites. Angewandte Chemie (International Ed. in English). PMID 31257671 DOI: 10.1002/anie.201906056  0.245
2016 Wang T, Tian X, Yang Y, Li YW, Wang J, Beller M, Jiao H. Surface morphology of orthorhombic Mo2C catalyst and high coverage hydrogen adsorption Surface Science. 651: 195-202. DOI: 10.1016/J.Susc.2016.04.017  0.24
2005 WANG Z, CHEN Z, JIAO H, VON RAGUÉ SCHLEYER P. ISOLOBAL BORON CARBONYL CARBOCATION ANALOGS Journal of Theoretical and Computational Chemistry. 4: 669-688. DOI: 10.1142/S0219633605001714  0.239
2019 Zhao P, He Y, Cao D, Xiang H, Jiao H, Yang Y, Li Y, Wen X. CO Self-Promoting Hydrogenation on CO-Saturated Ru(0001): A New Theoretical Insight into How H2 Participates in CO Activation Journal of Physical Chemistry C. 123: 6508-6515. DOI: 10.1021/Acs.Jpcc.8B11692  0.238
2004 Huo C, Li Y, Beller M, Jiao H. Acetylene Hydroformylation with HCo(CO)3as Catalyst. A Density Functional Study Organometallics. 23: 765-773. DOI: 10.1021/Om034212R  0.236
2001 Chen Z, Jiao H, Bühl M, Hirsch A, Thiel W. Theoretical investigation into structures and magnetic properties of smaller fullerenes and their heteroanalogues Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 106: 352-363. DOI: 10.1007/S002140100284  0.236
2019 Zhu L, Liu C, Wen X, Li Y, Jiao H. Coverage dependent structure and energy of water dissociative adsorption on clean and O-pre-covered Ni (100) and Ni(110) Catalysis Science & Technology. 9: 4725-4743. DOI: 10.1039/C9Cy01251F  0.236
2019 Li T, Wen X, Li Y, Jiao H. Mechanistic insight into CO activation, methanation and C-C bond formation from coverage dependent CO hydrogenation on Fe(110) Surface Science. 689: 121456. DOI: 10.1016/J.Susc.2019.121456  0.235
2020 Liu C, Zhu L, Wen X, Yang Y, Li Y, Jiao H. Exploring direct and hydrogen-assisted CO activation on iridium surfaces – surface dependent activity Catalysis Science & Technology. 10: 4424-4435. DOI: 10.1039/C9Cy02559F  0.235
2007 Ren J, Wang J, Huo C, Wen X, Cao Z, Yuan S, Li Y, Jiao H. Adsorption of NO, NO2, pyridine and pyrrole on α-Mo2C(0001): A DFT study Surface Science. 601: 1599-1607. DOI: 10.1016/J.Susc.2007.01.036  0.235
2004 Le Guennic B, Jiao H, Kahlal S, Saillard JY, Halet JF, Ghosh S, Shang M, Beatty AM, Rheingold AL, Fehlner TP. Synthesis and characterization of hypoelectronic rhenaboranes. Analysis of the geometric and electronic structures of species following neither borane nor metal cluster electron-counting paradigms. Journal of the American Chemical Society. 126: 3203-17. PMID 15012150 DOI: 10.1021/Ja039770B  0.234
2003 Jiao H, Costuas K, Gladysz JA, Halet JF, Guillemot M, Toupet L, Paul F, Lapinte C. 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. Journal of the American Chemical Society. 125: 9511-22. PMID 12889982 DOI: 10.1021/Ja034619N  0.234
2003 Wu H, Jiao H, Wang Z, Schleyer PVR. Monocyclic boron carbonyls: novel aromatic compounds. Journal of the American Chemical Society. 125: 4428-4429. PMID 12683806 DOI: 10.1021/Ja034605H  0.234
2019 Murugesan K, Wei Z, Chandrashekhar VG, Neumann H, Spannenberg A, Jiao H, Beller M, Jagadeesh RV. Homogeneous cobalt-catalyzed reductive amination for synthesis of functionalized primary amines. Nature Communications. 10: 5443. PMID 31784518 DOI: 10.1038/s41467-019-13351-7  0.234
2021 Sun Y, Chen Y, Zhang X, He Y, Qiu Z, Zheng W, Wang F, Jiao H, Yang Y, Li Y, Wen XD. The Facile Dissociation of Carbon-Oxygen bonds in CO2 and CO on the Surface of LaCoSiHx Intermetallic Compound. Angewandte Chemie (International Ed. in English). PMID 34519395 DOI: 10.1002/anie.202111747  0.232
2015 Becker L, Arndt P, Spannenberg A, Jiao H, Rosenthal U. Formation of tri- and tetranuclear titanacycles through decamethyltitanocene-mediated intermolecular C-C coupling of dinitriles. Angewandte Chemie (International Ed. in English). 54: 5523-6. PMID 25833142 DOI: 10.1002/Anie.201500109  0.231
2018 Zhang Y, Zhao Y, Otroshchenko T, Lund H, Pohl MM, Rodemerck U, Linke D, Jiao H, Jiang G, Kondratenko EV. Control of coordinatively unsaturated Zr sites in ZrO for efficient C-H bond activation. Nature Communications. 9: 3794. PMID 30228314 DOI: 10.1038/s41467-018-06174-5  0.231
2004 Mo Y, Jiao H, von Ragué Schleyer P. Hyperconjugation effect in substituted methyl boranes: an orbital deletion procedure analysis. The Journal of Organic Chemistry. 69: 3493-9. PMID 15132561 DOI: 10.1021/Jo035724I  0.231
2015 Liu S, Tian X, Wang T, Wen X, Li YW, Wang J, Jiao H. Coverage dependent water dissociative adsorption on the clean and O-precovered Fe(111) surfaces Journal of Physical Chemistry C. 119: 11714-11724. DOI: 10.1021/Acs.Jpcc.5B02297  0.231
2016 Shi Y, Yang Y, Li YW, Jiao H. Mechanisms of Mo2C(101)-Catalyzed Furfural Selective Hydrodeoxygenation to 2-Methylfuran from Computation Acs Catalysis. 6: 6790-6803. DOI: 10.1021/acscatal.6b02000  0.23
2009 Yang T, Wen X, Li Y, Wang J, Jiao H. Interaction of alkali metals with the Fe3O4(111) Surface Surface Science. 603: 78-83. DOI: 10.1016/J.Susc.2008.10.020  0.229
2001 Chen Z, Jiao H, Hirsch A, Thiel W. The 2(N+1)2 rule for spherical aromaticity: further validation Journal of Molecular Modeling. 7: 161-163. DOI: 10.1007/S008940100021  0.228
2010 Lama? M, Spannenberg A, Jiao H, Hansen S, Baumann W, Arndt P, Rosenthal U. Formation of a 1-zircona-2,5-disilacyclopent-3-yne: coordination of 1,4-disilabutatriene to zirconocene? Angewandte Chemie (International Ed. in English). 49: 2937-40. PMID 20235260 DOI: 10.1002/Anie.201000021  0.227
2006 Holz J, Zayas O, Jiao H, Baumann W, Spannenberg A, Monsees A, Riermeier TH, Almena J, Kadyrov R, Börner A. A highly tunable family of chiral bisphospholanes for rh-catalyzed enantioselective hydrogenation reactions. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 5001-13. PMID 16673427 DOI: 10.1002/chem.200600033  0.227
2002 Lichtenberger DL, Gruhn NE, Rai-Chaudhuri A, Renshaw SK, Gladysz JA, Jiao H, Seyler J, Igau A. Vibrational progressions in the valence ionizations of transition metal hydrides: evaluation of metal-hydride bonding and vibrations in (eta(5)-C(5)R(5))Re(NO)(CO)H [R = H, CH(3)]. Journal of the American Chemical Society. 124: 1417-23. PMID 11841310 DOI: 10.1021/Ja0120227  0.227
2022 Michalik D, Jiao H, Langer P. NMR spectroscopic and theoretical study on the isomerism of dimethyl benzodiazepine(diylidene)diacetates. Magnetic Resonance in Chemistry : Mrc. PMID 35373394 DOI: 10.1002/mrc.5272  0.227
2009 Yang T, Wen X, Huo C, Li Y, Wang J, Jiao H. Structure and energetics of hydrogen adsorption on Fe3O4(111) Journal of Molecular Catalysis a-Chemical. 302: 129-136. DOI: 10.1016/J.Molcata.2008.12.009  0.226
2020 Murugesan K, Wei Z, Chandrashekhar VG, Jiao H, Beller M, Jagadeesh RV. General and selective synthesis of primary amines using Ni-based homogeneous catalysts. Chemical Science. 11: 4332-4339. PMID 34122891 DOI: 10.1039/d0sc01084g  0.226
2020 Murugesan K, Wei Z, Chandrashekhar VG, Jiao H, Beller M, Jagadeesh RV. General and selective synthesis of primary amines using Ni-based homogeneous catalysts Chemical Science. 11: 4332-4339. DOI: 10.1039/D0Sc01084G  0.226
1997 Jiao H, Nagelkerke R, Kurtz HA, Williams RV, Borden WT, Von Ragué Schleyer P. Annelated semibullvalenes: A theoretical study of how they 'cope' with strain Journal of the American Chemical Society. 119: 5921-5929. DOI: 10.1021/Ja963165+  0.226
2004 Huo C, Li Y, Beller M, Jiao H. Catalyzed Chemoselective Acrolein Hydrogenation. Density Functional Studies Organometallics. 23: 2168-2178. DOI: 10.1021/Om034317U  0.226
2009 Hollmann D, Jiao H, Spannenberg A, Bähn S, Tillack A, Parton R, Altink R, Beller M. Deactivation of the shvo catalyst by ammonia: synthesis, characterization, and modeling Organometallics. 28: 473-479. DOI: 10.1021/Om8009415  0.225
2003 Jiao H, Chen Z, Hirsch A, Thiel W. Structures and magnetic properties of mono-doped fullerenes C59Xn and C59X(6mn)m (X=Bm, N+, P+, As+, Si): isoelectronic analogues of C60 and C60(6m). Journal of Molecular Modeling. 9: 34-8. PMID 12638009 DOI: 10.1007/S00894-002-0108-7  0.224
2017 Liu J, Meng Y, Ren P, Zhaorigetu B, Guo W, Cao D, Li Y, Jiao H, Liu Z, Jia M, Yang Y, Xu A, Wen X. Predicting the structural and electronic properties of transition metal monoxides from bulk to surface morphology Catalysis Today. 282: 96-104. DOI: 10.1016/J.Cattod.2016.08.004  0.224
1997 Mo Y, Schleyer PvR, Jiao H, Lin Z. Quantitative evaluation of hyperconjugation in the cyclopropylcarbinyl cation and in cyclopropylborane Chemical Physics Letters. 280: 439-443. DOI: 10.1016/S0009-2614(97)01195-0  0.223
2014 Wang T, Li YW, Wang J, Beller M, Jiao H. High coverage CO adsorption and dissociation on the orthorhombic Mo 2C(100) surface Journal of Physical Chemistry C. 118: 3162-3171. DOI: 10.1021/Jp412067X  0.223
2006 Ren J, Huo C, Wang J, Cao Z, Li Y, Jiao H. Density functional theory study into the adsorption of CO2, H and CHx (x=0–3) as well as C2H4 on α-Mo2C(0001) Surface Science. 600: 2329-2337. DOI: 10.1016/J.Susc.2006.03.027  0.221
2019 Knitsch R, Han D, Anke F, Ibing L, Jiao H, Hansen MR, Beweries T. Fe(II) Hydride Complexes for the Homogeneous Dehydrocoupling of Hydrazine Borane: Catalytic Mechanism via DFT Calculations and Detailed Spectroscopic Characterization Organometallics. 38: 2714-2723. DOI: 10.1021/Acs.Organomet.9B00053  0.221
2024 Li S, Jiao H, Shu XZ, Wu L. Zirconium and hafnium catalyzed C-C single bond hydroboration. Nature Communications. 15: 1846. PMID 38418499 DOI: 10.1038/s41467-024-45697-y  0.221
2024 Dai X, Han Y, Jiao H, Shi F, Rabeah J, Brueckner A. Aerobic Oxidative Synthesis of Formamides from Amines and Bioderived Formyl Surrogates. Angewandte Chemie (International Ed. in English). e202402241. PMID 38567831 DOI: 10.1002/anie.202402241  0.221
1996 Schleyer PvR, Jiao H, Sulzbach HM, Schaefer HF. Highly Aromatic Planar all-cis-[10]Annulene Derivatives Journal of the American Chemical Society. 118: 2093-2094. DOI: 10.1021/Ja953126I  0.221
2017 Wei Z, Junge K, Beller M, Jiao H. Hydrogenation of phenyl-substituted CN, CN,CC, CC and CO functional groups by Cr, Mo and W PNP pincer complexes – a DFT study Catalysis Science & Technology. 7: 2298-2307. DOI: 10.1039/C7Cy00629B  0.22
2013 Hollmann D, Grabow K, Jiao H, Kessler M, Spannenberg A, Beweries T, Bentrup U, Brückner A. Hydrogen generation by water reduction with [Cp*(2) Ti(OTf)]: identifying elemental mechanistic steps by combined in situ FTIR and in situ EPR spectroscopy supported by DFT calculations. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 13705-13. PMID 24092542 DOI: 10.1002/Chem.201301598  0.22
2002 Jiao H, Chen Z, Hirsch A, Thiel W. Oxa- and thia-fullerenes (C59O, C59S): Closed or opened cages? Phys. Chem. Chem. Phys.. 4: 4916-4920. DOI: 10.1039/B205507D  0.22
2002 Lichtenberger DL, Gruhn NE, Rai-Chaudhuri A, Renshaw SK, Gladysz JA, Jiao H, Seyler J, Igau A. 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, R′ = H, CH3) Organometallics. 21: 5494-5504. DOI: 10.1021/Om020793T  0.219
2014 Wang T, Tian XX, Li YW, Wang J, Beller M, Jiao H. Coverage-dependent CO adsorption and dissociation mechanisms on iron surfaces from DFT computations Acs Catalysis. 4: 1991-2005. DOI: 10.1021/Cs500287R  0.218
2016 Wang T, Tian X, Yang Y, Li YW, Wang J, Beller M, Jiao H. Coverage-Dependent N2 Adsorption and Its Modification of Iron Surfaces Structures Journal of Physical Chemistry C. 120: 2846-2854. DOI: 10.1021/Acs.Jpcc.5B11953  0.218
2018 Dong K, Sang R, Wei Z, Liu J, Dühren R, Spannenberg A, Jiao H, Neumann H, Jackstell R, Franke R, Beller M. Cooperative catalytic methoxycarbonylation of alkenes: uncovering the role of palladium complexes with hemilabile ligands. Chemical Science. 9: 2510-2516. PMID 29732128 DOI: 10.1039/C7Sc02964K  0.217
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2015 Becker L, Arndt P, Spannenberg A, Jiao H, Rosenthal U. Inside Back Cover: Formation of Tri- and Tetranuclear Titanacycles through Decamethyltitanocene-Mediated Intermolecular C-C Coupling of Dinitriles (Angew. Chem. Int. Ed. 18/2015) Angewandte Chemie International Edition. 54: 5527-5527. DOI: 10.1002/Anie.201502909  0.112
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2002 Ejfler J, Szafert S, Jiao H, Sobota P. Syntheses of new hexacoordinate germanium(IV) complexes. Crystal structures and properties of [GeCl4(TMEDA)] and [GeCl2(N3)2(TMEDA)] New Journal of Chemistry. 26: 803-805. DOI: 10.1039/B110770B  0.11
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2021 Gläsel T, Jiao H, Hapke M. Synthesis of Phosphinines from CoII-Catalyzed [2+2+2] Cycloaddition Reactions Acs Catalysis. 11: 13434-13444. DOI: 10.1021/acscatal.1c03483  0.067
2015 Zhou S, Fleischer S, Jiao H, Junge K, Beller M. ChemInform Abstract: Cooperative Catalysis with Iron and a Chiral Broensted Acid for Asymmetric Reductive Amination of Ketones. Cheminform. 46: no-no. DOI: 10.1002/CHIN.201516101  0.066
2003 Huo C, Li Y, Beller M, Jiao H. HCo(CO)3-Catalyzed Propene Hydroformylation. Insight into Detailed Mechanism Organometallics. 22: 4665-4677. DOI: 10.1021/OM0304863  0.066
2018 Holz J, Jiao H, Gandelman M, Börner A. About the Inversion Barriers of P-Chirogenic Triaryl-Substituted Phosphanes European Journal of Organic Chemistry. 2018: 2984-2994. DOI: 10.1002/ejoc.201701734  0.065
2013 Liu Q, Wu L, Jiao H, Fang X, Jackstell R, Beller M. Domino catalysis: palladium-catalyzed carbonylation of allylic alcohols to β,γ-unsaturated esters. Angewandte Chemie (International Ed. in English). 52: 8064-8. PMID 23794151 DOI: 10.1002/anie.201303850  0.063
2005 Zhang C, Wu H, Jiao H. Structure and stability of endohedral X@Si20H20 complexes (X=Li0/+, Na0/+, K0/+, Be0/2+, Mg0/2+, Ca0/2+) Chemical Physics Letters. 410: 457-461. DOI: 10.1016/J.CPLETT.2005.05.110  0.062
2010 JIAO H, NAGELKERKE R, KURTZ HA, WILLIAMS RV, BODEN WT, VON RAGUE SCHLEYER P. ChemInform Abstract: Annelated Semibullvalenes: A Theoretical Study of How They “Cope” with Strain Cheminform. 28: no-no. DOI: 10.1002/CHIN.199741033  0.062
2008 Jia J, Wu H, Xu X, Zhang X, Jiao H. ChemInform Abstract: Tube and Cage C60H60: A Comparison with C60F60. Cheminform. 39. DOI: 10.1002/CHIN.200836097  0.061
2014 Zhou S, Fleischer S, Jiao H, Junge K, Beller M. Cooperative catalysis with iron and a chiral brønsted acid for asymmetric reductive amination of ketones Advanced Synthesis and Catalysis. 356: 3451-3455. DOI: 10.1002/Adsc.201400328  0.061
2022 Krake EF, Jiao H, Baumann W. NMR and DFT analysis of the major diastereomeric degradation product of clopidogrel under oxidative stress conditions Journal of Molecular Structure. 1247: 131309. DOI: 10.1016/j.molstruc.2021.131309  0.06
2007 Bilenko V, Jiao H, Spannenberg A, Fischer C, Reinke H, Kösters J, Komarov I, Börner A. A New Target for Highly Stereoselective Katsuki–Sharpless Epoxidation – One-Pot Synthesis ofC2-Symmetric 2,2′-Bioxiranes European Journal of Organic Chemistry. 2007: 758-767. DOI: 10.1002/EJOC.200600711  0.06
2010 Chen Y, Dong M, Wang J, Jiao H. On the Role of a Cobalt Promoter in a Water-Gas-Shift Reaction on Co-MoS2 The Journal of Physical Chemistry C. 114: 16669-16676. DOI: 10.1021/JP106751A  0.057
2018 Höhne M, Müller BH, Peulecke N, Spannenberg A, Jiao H, Rosenthal U. A Mixed Valent Trinuclear Nickel Complex Zeitschrift FüR Anorganische Und Allgemeine Chemie. 644: 813-815. DOI: 10.1002/Zaac.201800090  0.056
2020 Ye F, Zhang S, Wei Z, Weniger F, Spannenberg A, Taeschler C, Ellinger S, Jiao H, Neumann H, Beller M. Versatile Fluorinated Building Blocks by Stereoselective (Per)fluoroalkenylation of Ketones European Journal of Organic Chemistry. 2020: 70-81. DOI: 10.1002/Ejoc.201901717  0.053
2019 Zhang Y, Zhao Y, Otroshchenko T, Han S, Lund H, Rodemerck U, Linke D, Jiao H, Jiang G, Kondratenko EV. The effect of phase composition and crystallite size on activity and selectivity of ZrO2 in non-oxidative propane dehydrogenation Journal of Catalysis. 371: 313-324. DOI: 10.1016/J.JCAT.2019.02.012  0.052
2002 Zhu Y, Xiang H, Li Y, Jiao H, Wu G, Zhong B, Guo G. A new strategy for the efficient synthesis of 2-methylfuran and γ-butyrolactone New Journal of Chemistry. 27: 208-210. DOI: 10.1039/B208849P  0.051
2010 JIAO H, VON RAGUE SCHLEYER P. ChemInform Abstract: Is Kekulene Really Superaromatic? Cheminform. 28: no-no. DOI: 10.1002/CHIN.199706096  0.049
2003 Wu H, Xu X, Zhang F, Jiao H. New Boron Nitride B24N24 Nanotube The Journal of Physical Chemistry A. 107: 6609-6612. DOI: 10.1021/JP035279V  0.046
2003 Wu H, Xu X, Zhang F, Jiao H. New Boron Nitride B24N24 Nanotube. Cheminform. 34. DOI: 10.1002/CHIN.200347001  0.046
2019 Zhou W, Wei Z, Spannenberg A, Jiao H, Junge K, Junge H, Beller M. Cover Feature: Cobalt‐Catalyzed Aqueous Dehydrogenation of Formic Acid (Chem. Eur. J. 36/2019) Chemistry: a European Journal. 25: 8427-8427. DOI: 10.1002/Chem.201902127  0.043
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2019 Budweg S, Wei Z, Jiao H, Junge K, Beller M. Front Cover: Iron–PNP‐Pincer‐Catalyzed Transfer Dehydrogenation of Secondary Alcohols (ChemSusChem 13/2019) Chemsuschem. 12: 2829-2829. DOI: 10.1002/Cssc.201901644  0.032
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