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Peer-reviewed articles - Books and book chapters

Peer-reviewed articles




D. S. Allgäuer, H. Jangra, H. Asahara, Z. Li, Q. Chen, H. Zipse, A. R. Ofial, H. Mayr,
"Quantification and Theoretical Analysis of the Electrophilicities of Michael Acceptors"
J. Am. Chem. Soc. 2017, 139, 13318 – 13329.
[DOI: 10.1021/jacs.7b05106]

120. F. Barth, F. Achrainer, A. M. Pütz, H. Zipse,
"Aminopyridine-Borane Complexes as Hydrogen Atom Donor Reagents - Reaction Mechanism and Substrate Selectivity"
Chem. Eur. J. 2017, 23, 13455 - 13464.
[DOI: 10.1002/chem.201702469]

M. Balkenhohl, R. Greiner, I. S. Makarov, B. Heinz, K. Karaghiosoff, H. Zipse, P. Knochel,
"Zn-, Mg-, and Li-TMP Bases for the Successive Regioselective Metalations of the 1,5-Naph-thyridine Scaffold (TMP=2,2,6,6- Tetramethyl-piperidyl)"
Chem. Eur. J. 2017, 23, 13046 - 13050.
[DOI: 10.1002/chem.201703638]

118. L. Sandhiya, H. Zipse,
"O-O Bond Homolysis in Hydrogen Peroxide"
J. Comp. Chem. 2017, 2186 - 2192.
[DOI: 10.1002/jcc.24870]
117. M. A. Ganiek, M. R. Becker, G. Berionni, H. Zipse, P. Knochel,
"Barbier Continuous Flow Preparation and Reactions of Carbamoyllithiums for Nucleophilic Amidation"
Chem. Eur. J. 2017, 10280 - 10284.
[DOI: 10.1002/chem.201702593]
116. J. Helberg, M. Marin-Luna, H. Zipse,
"Chemoselectivity in Esterification Reactions – Size Matters After All"
Synthesis 2017, 49, 3460 - 3470.
[DOI: 10.1055/s-0036-1588854]
115. E. Follet, H. Zipse, S. Lakhdar, A. R. Ofial, G. Berionni,
"Nucleophilicities and Lewis Basicities of Sterically Hindered Pyridines"
Synthesis 2017, 49, 3495 - 3504.
[DOI: 10.1055/s-0036-1590504]



D. Sakic, H. Zipse,
"Radical Stability as a Guideline in C–H Amination Reactions"
Adv. Synth. Catal. 2016, 3983 - 3991.
[DOI: 10.1002/adsc.201600629]
Front Cover Picture: [DOI: 10.1002/adsc.201601123]


H. Jangra, M. H. Haindl, F. Achrainer, J. Hioe, R. M. Gschwind, H. Zipse,
"Conformational Preferences in Small Peptide Models: The Relevance of cis/trans-Conformations"
Chem. Eur. J. 2016, 22, 13328 - 13335.
[DOI: doi:10.1002/chem.201601828]


M. Ellwart, I. S. Makarov, F. Achrainer, H. Zipse, P. Knochel,
"Regioselective Transition-Metal-Free Allyl–Allyl Cross-Couplings"
Angew. Chem. Int. Ed. 2016, 44, 10502 – 10506.
[DOI: doi:10.1002/anie.201603923]


U. Purushotham, H. Zipse, G. N. Sastry,
"A first-principles investigation of histidine and its ionic counterparts"
Theor. Chem. Acc. 2016, 135, 174:1 – 16.
[DOI: doi:10.1007/s00214-016-1926-5]


S. Becker, I. Thoma, A. Deutsch, T. Gehrke, P. Mayer, H. Zipse, T. Carell,
"A high-yielding, strictly regioselective prebiotic purine nucleoside formation pathway"
Science 2016, 352, 833 – 836.
[DOI: 10.1126/science.aad2808]


A. Ilangovan, P. Sakthivel, H. Zipse,
"An Unusual Grob–type C–C/C-O Bond Cleavage of 5-Acyl-2,3-dihydro-4H-pyran-4-one Derivatives"
Chem. Select 2016, 5, 1109 – 1116.
[DOI: 10.1002/slct.201600131]



A. Wagner, N. Hampel, H. Zipse, A. R. Ofial,
"Sequential Oxidative alpha-Cyanation/Anti-Markovnikov Hydroalkoxylation of Allylamines"
Org. Lett. 2015, 17, 4770 – 4773.
[DOI: 10.1021/acs.orglett.5b02319]


L. Sandhiya, H. Zipse,
"Initiation Chemistries in Hydrocarbon (Aut)Oxidation"
Chem. Eur. J. 2015, 21, 14060 – 14067.
[DOI: 10.1002/chem.201502384]


K. Matsumoto, Y. Miyamoto, K. Shimada, Y. Morisawa, H. Zipse, S. Suga, J. Yoshida, S. Kashimura, T. Wakabayashi,
"Low temperature in situ Raman spectroscopy of electro-generated arylbis(arylthio)sulfonium ion"
Chem. Comm. 2015, 51, 13106 - 13109.
[DOI: 10.1039/C5CC03585F]


P. Patschinski, H. Zipse,
"Leaving Group Effects on the Selectivity of the Silylation of Alcohols: The Reactivity–Selectivity Principle Revisited"
Org. Lett. 2015, 17, 3318 - 3321.
[DOI: 10.1021/acs.orglett.5b01536]


P. Quinio, C. Francois, A. Escribano Cuesta, A. K. Steib, F. Achrainer, H. Zipse, K. Karaghiosoff, P. Knochel,
"Preparation of Tri- and Tetrasubstituted Allenes via Regioselective Lateral Metalation of Benzylic (Trimethylsilyl)alkynes Using TMPZnCl·LiCl"
Org. Lett. 2015, 17, 1010-1013.
[DOI: 10.1021/acs.orglett.5b00114]


K. Moriya, D. Didier, M. Simon, J. M. Hammann, G. Berionni, K. Karaghiosoff, H. Zipse, H. Mayr, P. Knochel,
"Stereoselektive Synthesis and Reactions of 3-Functionalized Secondary Alkyllithiums"
Angew. Chem. Int. Ed. 2015, 54, 2754 - 2757.
[DOI: 10.1002/anie.201409165]


J. Hioe, D. Sakic, V. Vrcek, H. Zipse,
"The Stability of Nitrogen-Centered Radicals"
Org. Biomol. Chem. 2015, 13, 157 - 169.
[DOI: 10.1039/C4OB01656D]


101) F. Achrainer, H. Zipse,
"Transfer Hydrogenation in Open-Shell Nucleotides — A Theoretical Survey"
Molecules 2014, 19, 21489 — 21505. [DOI: 10.3390/molecules191221489]

100) X. Guo, H. Zipse, H. Mayr,
"Mechanisms of Hydride Abstractions by Quinones"
J. Am. Chem. Soc. 2014, 136, 13863 - 13873. [DOI: 10.1021/ja507598y]

99) F. Achrainer, V. N. Emel’yanenko, W. Tantawy, S. P. Verevkin, H. Zipse,
"Transfer Hydrogenation as a Redox Process in Nucleotides"
J. Phys. Chem. B 2014, 118, 10426 – 10429. [ DOI: 10.1021/jp507855k]

98) P. Patschinski, C. Zhang, H. Zipse,
"The Lewis Base-Catalyzed Silylation of Alcohols — A Mechanistic Analysis"
J. Org. Chem. 2014, 79, 8348 – 8357. [DOI: 10.1021/jo5016568]

97) C. Zhang, P. Patschinski, D. S. Stephenson, R. Panisch, J. H. Wender, M. C. Holthausen, H. Zipse,
"The Calculation of 29Si NMR Chemical Shifts of Tetracoordinated Silicon Compounds in the Gas Phase and in Solution"
Phys. Chem. Chem. Phys. 2014, 16, 16642 - 16650. [DOI: 10.1039/C4CP01736F]

96) A. Frischmuth, M. Fernandez, N. M. Barl, F. Achrainer, H. Zipse, G. Berionni, H. Mayr, K. Karaghiosoff, P. Knochel,
"New In Situ Trapping Metalations of Functionalized Arenes and Heteroarenes with TMPLi in the Presence of ZnCl2 and Other Metal Salts"
Angew. Chem. Int. Ed. 2014, 53, 7928 - 7932. [DOI: 10.1002/anie.201403688]

95) P. Hommes, C. Fischer, C. Lindner, H. Zipse, H.-U. Reissig,
"Unprecedented Strong Lewis Bases — Synthesis and Methyl Cation Affinities of Dimethylamino-Substituted Terpyridines"
Angew. Chem. Int. Ed. 2014, 53, 7647 - 7651. [DOI: 10.1002/anie.201403403]


94) R. Tandon, T. Nigst, H. Zipse,
"Inductive Effects through Alkyl Groups – How Long is Long Enough?"
Eur. J. Org. Chem. 2013, 5423 - 5430. [DOI: 10.1002/ejoc.201300486]
[supplemental information]

93) T. H. Gehrke, U. Lischke, K. L. Gasteiger, S. Schneider, S. Arnold, H. C. Müller, D. S. Stephenson, H. Zipse, T. Carell,
"Unexpected non-Hoogsteen-based mutagenicity mechanism of FaPy-DNA lesions"
Nat. Chem. Biol. 2013, 9, 455 - 463. [DOI: 10.1038/nchembio.1254]

92) J. Hioe, M. Mosch, D. M. Smith, H. Zipse,
"Dissociation Energies of C(alpha)-H Bonds in Amino Acids - a Reexamination"
RSC Advances 2013, 3, 12403 - 12408. [DOI: 10.1039/C3RA42115E]

91) S. Schaffer, R. Tandon, H. Zipse, W. Siess, A. Schmidt, J. Jamasbi, E. Karshovska, W. Steglich, R. Lorenz,
"Stereospecific platelet inhibition by the natural LXR agonist 22(R)-OH-cholesterol and its fluorescence labelling with preserved bioactivity and chiral handling in macrophages"
Biochem. Pharm. 2013, 86, 279 - 285. [DOI: 10.1016/j.bcp.2013.04.024]
[supplemental information]

90) D. Sakic, F. Achrainer, V. Vrcek, H. Zipse,
"The chemical fate of paroxetine metabolites. Dehydration of radicals derived from 4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine"
Org. Biomol. Chem. 2013, 11, 4232 - 4239. [DOI: 10.1039/C3OB40219C]

89) R. Tandon, T. Unzner, T. A. Nigst, N. De Rycke, P. Mayer, B. Wendt, O. R. P. David, H. Zipse,
"Annelated Pyridines as Highly Nucleophilic and Lewis-Basic Catalysts for Acylation Reactions"
Chem. Eur. J. 2013, 19, 6435 - 6442. [DOI: 10.1002/chem.201204452]
[supplemental information]

88) C. Lindner, Y. Liu, K. Karaghiosoff, B. Maryasin, H. Zipse,
"The Aza-Morita–Baylis–Hillman Reaction: A Mechanistic and Kinetic Study"
Chem. Eur. J. 2013, 19, 6429 - 6434. [DOI: 10.1002/chem.201204006]
[supplemental information]

87) S. Seel, G. Dagousset, T. Thaler, A. Frischmuth, K. Karaghiosoff, H. Zipse, P. Knochel,
"Preparation of Stereodefined Secondary Alkyllithium Compounds"
Chem. Eur. J. 2013, 19, 4614 - 4622. [DOI: 10.1002/chem.201204076]


86) J. Hioe, H. Zipse,
"Hydrogen Transfer in SAM-Mediated Enzymatic Radical Reactions"
Chem. Eur. J. 2012, 18, 16463 - 16472. [DOI: 10.1002/chem.201202869]

85) C. Lindner, R. Tandon, B. Maryasin, E. Larionov, H. Zipse,
"Cation affinity numbers of Lewis bases"
Beilstein J. Org. Chem. 2012, 8, 1406 - 1442. [DOI: 10.3762/bjoc.8.163]
[supplemental information]

84) E. Larionov, M. Mahesh, A. C. Spivey, H. Zipse,
"Theoretical Prediction of Selectivity in Kinetic Resolution of Secondary Alcohols Catalyzed by Chiral DMAP Derivatives"
J. Am. Chem. Soc. 2012, 134, 9390 - 9399. [DOI: 10.1021/ja302420g]

83) C. Lindner, R. Tandon, Y. Liu, B. Maryasin, H. Zipse,
"The aza-Morita-Baylis-Hillman Reaction of Electronically and Sterically Deactivated Substrates"
Org. Biomol. Chem. 2012, 10, 3210 - 3218. [DOI: 10.1039/C2OB07058H]
[supplemental information]

82) E. Larionov, F. Achrainer, J. Humin, H. Zipse,
"The Catalytic Potential of Substituted Pyridines in Acylation Reactions: Theoretical Prediction and Experimental Validation"
ChemCatChem 2012, 4, 559 - 566. [DOI: 10.1002/cctc.201100313]

81) K. Condic-Jurkic, A. Smith, H. Zipse, D. M. Smith,
"The Protonation States of the Active-Site Histidines in (6-4) Photolyase"
J. Chem. Theory Comput. 2012, 8, 1078 - 1091. [DOI: 10.1021/ct2005648]

80) I. V. Vrcek, D. Sakic, V. Vrcek, H. Zipse, M. Birus,
"Computational study of radicals derived from hydroxyurea and its methylated analogues"
Org. Biomol. Chem. 2012, 10, 1196 - 1206. [DOI: 10.1039/C1OB06594G]


79) D. Sakic, H. Zipse, V. Vrcek,
"Base-catalyzed reactions of environmentally relevant N-chloro-piperidines. A quantum-chemical study"
Org. Biomol. Chem. 2011, 9, 4336 - 4346. [DOI: 10.1039/C1OB05077J]

78) G. V. M. Sharma, D. H. Chary, N. Chandramouli, F. Achrainer, S. Patrudu, H. Zipse,
"Free radical 5-exo-dig cyclization as the key step in the synthesis of bis-butyrolactone natural products: experimental and theoretical studies"
Org. Biomol. Chem. 2011, 9, 4079 - 4084. [DOI: 10.1039/C1OB00019E]

77) S. Seel, T. Thaler, K. Takatsu, C. Zhang, H. Zipse, B. F. Straub, P. Mayer, P. Knochel,
"Highly Diastereoselective Arylations of Substituted Piperidines"
J. Am. Chem. Soc. 2011, 133, 4774 - 4777. [DOI: 10.1021/ja201008e]

76) J. Hioe, G. Savasci, H. Brandt, H. Zipse,
"The Stability of C.alpha. Peptide Radicals - why Glycyl Radical Enzymes?"
Chem. Eur. J. 2011, 17, 3781 - 3789. [DOI: 10.1002/chem.201002620]

75) B. Maryasin, H. Zipse,
"Theoretical Studies of 31P NMR Spectral Properties of Phosphanes and Related Compounds in Solution"
Phys. Chem. Chem. Phys. 2011, 13, 5150 - 5158. [DOI: 10.1039/C0CP02653K]

74) V. D'Elia, Y. Liu, H. Zipse,
"Immobilized DMAP-Derivatives Rivaling Homogeneous DMAP"
Eur. J. Org. Chem. 2011, 1527 - 1533. [DOI: 10.1002/ejoc.201001507]

73) C. Kuttruff, H. Zipse, D. Trauner,
"Concise Total Synthesis of Variecolortide A and B Through an Unusual Hetero Diels-Alder Reaction""
Angew. Chem. Int. Ed. 2011, 50, 1402 - 1405.
Angew. Chem. 2011, 123, 1438 - 1441. [DOI: 10.1002/anie.201006154]


72) C. Lindner, B. Maryasin, F. Richter, H. Zipse,
"Methyl cation affinity (MCA) values for phosphanes"
J. Phys. Org. Chem. 2010, 23, 1036 - 1042. [DOI: 10.1002/poc.1726]
[supplemental information]

71) M. Breugst, H. Zipse, J. P. Guthrie, H. Mayr,
"Marcus Analysis of Ambident Reactivity"
Angew. Chem. 2010, 122, 5291 - 5295.
Angew. Chem. Int. Ed. 2010, 49, 5165 - 5169. [DOI: 10.1002/anie.201001574]

70) J. Hioe, H. Zipse,
"Radical stability and its role in synthesis and catalysis"
Org. Biomol. Chem. 2010, 8, 3609 - 3617. [DOI: 10.1039/C004166A]

69) J. Hioe, A. Karton, J. M. L . Martin, H. Zipse,
"Borane-Lewis Base Complexes as Homolytic Hydrogen Atom Donors"
Chem. Eur. J. 2010, 16, 6861 - 6865. [DOI: 10.1002/chem.200903395]
Corrigendum: Chem. Eur. J. 2010, 16, 6722. [DOI: 10.1002/chem.201090111]

68) K. Condic-Jurkic, H. Zipse, D. M. Smith,
"A Compound QM/MM Procedure: Comparative Performance on a Pyruvate Formate-Lyase Model System"
J. Comp. Chem. 2010, 31, 1024 - 1035. [DOI: 10.1002/jcc.21389]

67) T. Thaler, B. Haag, A. Gavryushin, K. Schober, E. Hartmann, R. Gschwind, H. Zipse, P. Mayer, P. Knochel,
"Highly diastereoselective Csp3-Csp2 Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds"
Nature Chem., 2010, 125 - 130. [DOI: 10.1038/nchem.505]

66) J. Hioe, H. Zipse,
"Radicals in enzymatic catalysis - a thermodynamic perspective"
Faraday Disc. 2010, 145, 301 - 313 (original manuscript). [DOI: 10.1039/B907121K]
Faraday Disc. 2010, 145, 381 - 409 (general discussion I). [DOI: 10.1039/B921490A]
Faraday Disc. 2010, 145, 523 - 566 (general discussion II). [DOI: 10.1039/B921493N]


65) M. Baidya, M. Horn, H. Zipse, H. Mayr,
"Organocatalytic Activity of Cinchona Alkaloids: Which Nitrogen Is More Nucleophilic?"
J. Org. Chem. 2009, 7157 - 7164. [DOI: 10.1021/jo901670w]

64) I. Held, E. Larionov, C. Bozler, F. Wagner, H. Zipse,
"The Catalytic Potential of 4-Guanidinylpyridines in Acylation Reactions"
Synthesis 2009, 2267 - 2277. [DOI: 10.1055/s-0029-1216830]

63) Y. Wei, B. Sateesh, B. Maryasin, G. N. Sastry, H. Zipse,
"The performance of computational techniques in locating the charge separated intermediates in organocatalytic transformations"
J. Comp. Chem. 2009, 2617 - 2624. [DOI: 10.1002/jcc.21271]

62) J. S. Rao, H. Zipse, G. N. Sastry,
"Explicit Solvent Effect on Cation-.pi. Interactions: A First Principle Investigation"
J. Phys. Chem. B 2009, 113, 7225 - 7236. [DOI: 10.1021/jp900013e]

61) V. Vrcek, H. Zipse,
"Rearrangemements in Piperidine-Derived Nitrogen-Centered Radicals. A Quantum-Chemical Study"
J. Org. Chem. 2009, 74, 2947 - 2957. [DOI: 10.1021/jo900349e]

60) H. Detert, D. Lenoir, H. Zipse,
"Thermal Rearrangements of Perchlorohexatrienes - Structures and Experimental and Theoretical Evaluation of Pathways to Isomerization and Cyclization"
Eur. J. Org. Chem. 2009, 1181 - 1190. [DOI: 10.1002/ejoc.200801076]

59) H. Zipse, E. Artin, S. Wnuk, G. J. S. Lohman, D. Martino, R. G. Griffin, S. Kacprzak, M. Kaupp, B. Hoffman, M. Bennati, J. Stubbe, N. Lees,
"Structure of the Nucleotide Radical Formed during Reaction of CDP/TTP with the E441Q-.alpha.2.beta.2 of E. coli Ribonucleotide Reductase"
J. Am. Chem. Soc. 2009, 131, 200 - 211. [DOI: 10.1021/ja806693s]


58) Y. Wei, G. N. Sastry, H. Zipse,
"Estimating the Stereoinductive Potential of Cinchona Alkaloids with a Prochiral Probe Approach"
Org. Lett. 2008, 10, 5413 - 5417.

57) D. Vijay, H. Zipse, G. N. Sastry,
"On the Cooperativity of Cation-pi and Hydrogen Bonding Interactions"
J. Phys. Chem. B. 2008, 112, 8863 - 8867.

56) I. Held, P. von den Hoff, D. S. Stephenson, H. Zipse,
"Domino Catalysis in the Direct Conversion of Carboxylic Acids to Esters"
Adv. Synth. Catal. 2008, 350, 1891 - 1900.

55) Y. Wei, H. Zipse,
"Tautomeric Equilibria in 3-Amino-1-(2-aminoimidazol-4-yl)-prop-1-ene, a Central Building Block of Marine Alkaloids"
Eur. J. Org. Chem. 2008, 3811 - 3816.

54) K. Condic-Jurkic, V. T. Perchyonok, H. Zipse, D. M. Smith,
"On the modeling of arginine-bound carboxylates: A case study with Pyruvate Formate-Lyase"
J. Comp. Chem. 2008, 29, 2425 - 2433.

53) Y. Wei, G. N. Sastry, H. Zipse,
"Methyl Cation Affinities of Commonly Used Organocatalysts"
J. Am. Chem. Soc. 2008, 130, 3473 - 3477.

52) Y. Wei, T. Singer, H. Mayr, G. N. Sastry, H. Zipse,
"Assessment of Theoretical Methods for the Calculation of Methyl Cation Affinities"
J. Comp. Chem. 2008, 29, 291 - 297.


51) W. Tantawy, H. Zipse,
"Hydroxylic Solvents as Hydrogen Atom Donors in Radical Reactions"
Eur. J. Org. Chem. 2007, 5817 - 5820.

50) A. S. Reddy, H. Zipse, G. N. Sastry,
"Cation-pi Interactions of Bare and Coordinatively Saturated Metal Ions: Contrasting Structural and Energetic Characteristics"
J. Phys. Chem. B 2007, 111, 11546 - 11553.

49) I. Held, S. Xu, H. Zipse,
"Modular Design of Pyridine-Based Acyl-Transfer Catalysts"
Synthesis 2007, 1185 - 1196.

48) F. Brotzel, B. Kempf, T. Singer, H. Zipse, H. Mayr,
"Nucleophilicities and Carbon Basicities of Pyridines"
Chem. Eur. J. 2007, 13, 336 - 345.


47) Y. Wei, I. Held, H. Zipse,
"Stacking interactions as the principal design element in acyl-transfer catalysts"
Org. Biomol. Chem. 2006, 4, 4223 - 4230.

46) C. B. Fischer, S. Xu, H. Zipse,
"Steric Effects in the Uncatalyzed and DMAP-Catalyzed Acylation of Alcohols - Quantifying the Window of Opportunity in Kinetic Resolution Experiments"
Chem. Eur. J. 2006, 12, 5779 - 5784.

45) H. Zipse,
"Radical Stability - A Theoretical Perspective"
Topics Curr. Chem. 2006, 263, 163 - 189.


44) M. Bennati, F. Lendzian, M. Schmittel, H. Zipse,
"Spectroscopic and Theoretical Approaches for Studying Radical Reactions in Ribonucleotide Reductase (review)"
Biol. Chem. 2005, 386, 1007 - 1022.

43) S. Xu, I. Held, B. Kempf, H. Mayr, W. Steglich, H. Zipse,
"The DMAP-Catalyzed Acetylation of Alcohols - A Mechanistic Study (DMAP = 4-(Dimethylamino)pyridine)"
Chem. Eur. J. 2005, 11, 4751 - 4757.

42) C. B. Fischer, H. Steininger, D. S. Stephenson, H. Zipse,
"Catalysis of Aminolysis of p-Nitrophenyl Acetate by 2-Pyridones"
J. Phys. Org. Chem. 2005, 18, 901 - 907.

41) M. Ernd, M. Heuschmann, H. Zipse,
"Cycloadditions of Aryl-Substituted 1,2,4-Triazines with 2-Cyclopropylidene-1,3-dimethylimidazolidine - Zwitterions as Discrete Intermediates"
Helv. Chim. Acta 2005, 88, 1491 - 1518.

40) I. Held, A. Villinger, H. Zipse,
"The Stability of Acylpyridinium Cations and Their Relation to the Catalytic Activity of Pyridine Bases"
Synthesis 2005, 1425 - 1426.

39) H.-F. Grützmacher, M. Büchner, H. Zipse,
"Ion/molecule reactions of 2-chloro- and 2-bromopropene radical cations with methanol and ethanol - FT-ICR spectrometry and DFT calculations"
Int. J. Mass Spectrom. 2005, 241, 31 - 42.

38) F. Martin, H. Zipse,
"Charge Distribution in the Water Molecule - A Comparison of Methods"
J. Comp. Chem. 2005, 26, 97 - 105.


37) C. B. Fischer, K. Polborn, H. Steininger, H. Zipse,
"Synthesis and Solid-State Structures of Alkyl-Substituted 3-Cyano-2-Pyridones"
Z. Naturforsch. B 2004, 59b, 1121 - 1131.

36) Y. Wang, S. Grimme, H. Zipse,
"Charge Separation and Charge Distribution in Rearrangement Reactions of ß-(Phosphatoxy)alkyl Radicals"
J. Phys. Chem. A 2004, 108, 2324 - 2331.


35) M. R. Heinrich, H. S. Klisa, H. Mayr, W. Steglich, H. Zipse,
"Enhancing the Catalytic Activity of 4-(Dialkylamino)pyridines by Conformational Fixation"
Angew. Chem. 2003, 115, 4975 - 4977.
Angew. Chem. Int. Ed. 2003, 42, 4826 - 4828.

34) H. Zipse,
"Charge distribution and charge separation in radical rearrangement reactions"
Adv. Phys. Org. Chem. 2003, 38, 111 - 130.

33) H. Zipse, A. Schulz,
"Glossar zur Theoretischen Organischen Chemie"
Angew. Chem. 2003, 115, 2248 - 2294.

32) D. M. Smith, W. Buckel, H. Zipse,
"Deprotonation of Enoxy Radicals: Theoretical Validation of a 50-Year-Old Mechanistic Proposal"
Angew. Chem. 2003, 115, 1911 - 1915.
Angew. Chem. Int. Ed. 2003, 42, 1867 - 1870.

31) H. Zipse,
"The Influence of Hydrogen Bonding Interactions on the C-H Bond Activation Step in Class 1 Ribonucleotide Reductases"
Org. Biomol. Chem. 2003, 1, 692 - 699.

30) B. Neumann, H. Zipse,
"1,2-Chlorine atom migration in 3-chloro-2-butyl radicals - a computational study"
Org. Biomol. Chem. 2003, 1, 168 - 172.


29) C. Nonnenberg, W. A. van der Donk, H. Zipse,
"Reductive Dechlorination of Trichloroethylene: A Computational Study"
J. Phys. Chem. A 2002, 116, 8708 - 8715.

28) F. F. Kneisel, Y. Monguchi, K. M. Knapp, H. Zipse, P. Knochel,
"Stereoselective Cyclization Reactions Mediated by Functionalized Organomagnesium Reagents and Catalyzed by Cobalt or Copper Salts"
Tetrahedron Lett. 2002, 43, 4875 - 4879.


27) H. Zipse, M. Bootz,
"1,2-Migration in ß-(acyloxy)ethyl radicals revisited - concerted or stepwise?"
J. Chem. Soc., Perkin Trans. 2 2001, 1566 - 1572.

26) J. L. Radkiewicz, H. Zipse, S. Clarke, K. N. Houk,
"Neighboring Side Chain Effects on Asparaginyl and Aspartyl Degradation: An Ab Initio Study of the Relationship between Peptide Conformation and Backbone NH Acidity "
J. Am. Chem. Soc. 2001, 123, 3499 - 3506.

25) M. Mohr, H. Zipse,
"Does the cationic or the radical character dominate the reactivity of alkene radical cations towards solvent molecules?"
Phys. Chem. Chem. Phys. 2001, 3,1246 - 1252.


24) M. Mohr, D. Marx, M. Parrinello, H. Zipse,
"Solvation of Radical Cations in Water - Reactive or Unreactive Solvation?"
Chem. Eur. J. 2000, 21,4009-4015.

23) R. Braslau, N. Naik, and H. Zipse,
"Stereoselective Coupling of Prochiral Radicals with a Chiral C2-Symmetric Nitroxide"
J. Am. Chem. Soc. 2000, 122,8421 - 8434.

22) R. Glatthar, M. Spichty, A. Gugger, R. Batra, W. Damm, M. Mohr, H. Zipse, B. Giese,
"Mechanistic Studies in the Radical Induced DNA Strand Cleavage - Formation and Reactivity of the Radical Cation Intermediate"
Tetrahedron 2000, 56, 4117 - 4128.


21) M. Newcomb, J. H. Horner, P. O. Whitted, D. Crich, X. Huang, Q. Yao, H. Zipse,
"beta-Phosphatoxyalkyl Radical Reactions. Competing Phosphate Migration and Phosphoric Acid Elimination from a Radical Cation - Phosphate Anion Pair formed by Heterolytic Fragmentation"
J. Am. Chem. Soc. 1999, 121,10685 - 10694.

20) C. Zimmermann, M. Mohr, H. Zipse, R. Eichberger, W. Schnabel,
"Photoionization of anthracene and anthracene derivatives"
J. Photochem. Photobiol. A: Chem. 1999, 125, 47-56.

19) M. Mohr, H. Zipse,
"C-H Bond Activation In Ribonucleotide Reductases - Do Short Strong Hydrogen Bonds Play a Role?"
Chem. Eur. J. 1999, 5, 3046 - 3054.

18) H. Zipse,
"The Methylenology Principle: How Radicals Influence the Course of Ionic Reactions"
Acc. Chem. Res. 1999, 32, 571 - 578.


17) M. Mohr, H. Zipse, D. Marx, M. Parrinello,
"Interaction of Alkene Radical Cations with Solvent Molecules as Described with Density Functional Theory"
J. Phys. Chem. A 1997, 101, 8942 - 8948.

16) H. Zipse,
"Electron-Transfer Transition States - Bound or Unbound?"
Angew. Chem. 1997, 109, 1773.
Angew. Chem. Int. Ed. Engl. 1997, 36, 1697.

15) H. Zipse,
"Application of the Methylenology Principle to Substitution Reactions - A Theoretical Study"
J. Chem. Soc. Perkin Trans. 2 1997, 2691.

14) H. Zipse,
"Computational Insight into the Chemistry of beta-(Phosphatoxy)alkyl Radicals: [3,2]- and [1,2]-Phosphatoxy Rearrangements and a New Pathway for syn-Elimination of Phosphate"
J. Am. Chem. Soc. 1997, 119, 2889.

13) H. Zipse,
"1,2-Acyloxy Shifts in Radicals - A Computational Investigation of Substituent and Solvent Effects"
J. Am. Chem. Soc. 1997, 119, 1087.


12) J. L. Radkiewicz, H. Zipse, S. Clarke, K. N. Houk,
"Accelerated Racemization of Aspartic Acid and Asparagine Residues via Succinimide Intermediates - An Ab Initio Theoretical Exploration of the Mechanism"
J. Am. Chem. Soc. 1996, 118, 9148.

11) H. Zipse,
"Acyloxy-Shifts in Open and Closed Shell Systems - Intramolecular Nucleophilic Substitution Reactions in Disguise"
J. Chem. Soc. Perkin Trans. 2 1996, 1797.

10) L.-H. Wang, H. Zipse,
"Bifunctional Catalysis of Ester Aminolysis - a Computational and Experimental Study"
Liebigs Ann. 1996, 1501.

9) H. Zipse, L.-H. Wang, K. N. Houk,
"Polyether Catalysis of Ester Aminolysis - a Computational and Experimental Study"
Liebigs Ann. 1996, 1511.
Correction: H. Zipse, L.-H. Wang, K. N. Houk,
Liebigs Ann. 1996, 1949.


8) H. Zipse,
"The Addition of Water to Ethylene Radical Cation - A Good Model System for the Reaction of Alkene Radical Cations with Nucleophiles ?"
J. Am. Chem. Soc. 1995, 117, 11798.

7) H. Zipse, G. Apaydin, K. N. Houk,
"A Theoretical Exploration of the Thermal Decarboxylation of Kemp's Other Acid. The Influence of Solvation on the Transition State Geometry of a Reaction with a Giant Solvent Effect"
J. Am. Chem. Soc. 1995, 117, 8608.


6) H. Zipse,
"Open Shell Analogs of Closed Shell Reaction Paths: The SRN2'-Case"
J. Am. Chem. Soc. 1994, 116, 10773.

5) H. Zipse,
"The SRN2 Pathway - A Mechanistic Alternative for Radicals in Protic Media?"
Angew. Chem. Int. Ed. Engl. 1994, 33, 1985.;
Angew. Chem. 1994, 106, 2019.


4) B. Giese, U. Hoffmann, M. Roth, A. Veit, C. Wyss, M. Zender, H. Zipse,
"Stereoselective Radical Reactions with Chiral Acrylamides and Methacrylamides"
Tetrahedron Letters 1993, 34, 2445.

3) K. N. Houk, H. Zipse,
"Effects of Hydration on the Claisen Rearrangement of Allyl Vinyl Ether from Computer Simulations - What Causes Aqueous Acceleration of the Claisen Rearrangement", Chemtracts 1993, 6, 51.


2) W. Damm, B. Giese, J. Hartung, T. Hasskerl, K. N. Houk, O. Hüter, H. Zipse,
"Diastereofacial Selectivity in Reactions of Substituted Cyclohexyl Radicals - An Experimental and Theoretical Study"
J. Am. Chem. Soc. 1992, 114, 4067.


1) H. Zipse, J. He, K. N. Houk, B. Giese,
"On the Transition States of Electrophilic Radical Additions to Alkenes"
J. Am. Chem. Soc. 1991, 113, 4324.


Books and book chapters


15) R. Tandon, H. Zipse,
"Anhydride Activation by 4-Dialkylaminopyridines and Analogs (n to .pi.*)"
in Lewis Base Catalysis in Organic Synthesis (eds E. Vedejs and S. E. Denmark), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany, 2016. [DOI: doi: 10.1002/9783527675142.ch5]

14) F. Achrainer, F. Barth, C. Draxler, C. Lindner, H. Zipse,
"Versuche zur Experimentalvorlesung Organische Chemie", 2. korrigierte Auflage,
Shaker Verlag, 2014. [ISBN 978-3-8440-2850-8]

13) H. Zipse,
"Grundlagen der Organischen Chemie"
Shaker Verlag, 2014, 3. korrigierte Auflage. [ISBN 978-3-8440-2849-2]

12) F. Achrainer, F. Barth, C. Draxler, C. Lindner, H. Zipse,
"Versuche zur Experimentalvorlesung Organische Chemie,"
Shaker Verlag, 2013. [ISBN 978-3-8440-1777-9]

11) H. Zipse,
"Grundlagen der Organischen Chemie"
Shaker Verlag, 2013, 2. korrigierte Auflage. [ISBN 978-3-8440-1885-1]

10) H. Zipse,
"Notizen zur Vorlesung "Grundlagen der Organischen Chemie""
Shaker Verlag, 2012. [ISBN 978-3-8440-0970-5]

9) J. Hioe, H. Zipse,
"Radical Stability - Thermochemical Aspects""
p. 449 - 476 in Encyclopedia of Radical in Chemistry, Biology and Materials,
C. Chatgilialoglu and A. Studer (eds)., John Wiley & Sons Ltd, Chichester, UK, 2012.

8) E. Larionov, H. Zipse,
"Organocatalysis: acylation catalysts"
WIRES Comp. Mol. Sci. 2011, 1, 601 - 619. [DOI: 10.1002/wcms.48]

7) M. L. Coote, C. Y. Lin, H. Zipse,
"The Stability of Carbon-Centered Radicals"
p. 83 - 104, in M. D. E. Forbes (Ed.), Carbon-Centered Free Radicals and Radicals Cations, John Wiley & Sons, 2010.

6) K. Nakata, H. Zipse,
"Acid/Base-Properties of Radicals Involved in Enzyme-Mediated 1,2-Migration Reactions"
"Modelling Molecular Structure and Reactivity in Biological Systems", edited by K. J. Naidoo, J. Brady, M. Field, J. Gao, and M. Hann, The Royal Society of Chemistry, 2006, pp. 132 - 140.

5) C. Müller, L. Wang, H. Zipse,
"Enzymes, Abzymes, Chemzymes - Theozymes?"
Transition State Modeling for Catalysis, edited by D. G. Truhlar and K. Morokuma (American Chemical Society Symposium Series, Washington, DC, 1999), pp. 61-73.

4) H. Zipse,
"Radical addition to polyenes" in
The chemistry of dienes and polyenes, Vol. 1, Ed.: Z. Rappoport; J. Wiley& Sons, 1997.

3) A. Ghosez, B. Giese, T. Göbel, H. Zipse,
in "Methods of Organic Chemistry",
Houben-Weyl, 4th Ed.; Thieme, Stuttgart, 1995; Vol. E 21d, p.3913-3943.

2) B. Giese, T. Göbel, B. Kopping, H. Zipse,
in "Methods of Organic Chemistry",
Houben-Weyl, 4th Ed.; Thieme, Stuttgart, 1995; Vol. E 21c, p.2203-2287.

1) A. Ghosez, B. Giese, H. Zipse,
in M. Regitz, B. Giese (Hrsg.)
"C-Radikale", Houben-Weyl, 4th Ed.; Thieme: Stuttgart, 1989; Vol. E19a.