Publications
462 results found
Aliev AE, Arendorf JRT, Pavlakos I, et al., 2015, Surfing π Clouds for Noncovalent Interactions: Arenes versus Alkenes, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol: 54, Pages: 551-555, ISSN: 1433-7851
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- Citations: 23
Jana A, Huch V, Rzepa HS, et al., 2015, A Multiply Functionalized Base-Coordinated Ge<SUP>II</SUP> Compound and Its Reversible Dimerization to the Digermene, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol: 54, Pages: 289-292, ISSN: 1433-7851
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- Citations: 27
Richardson RD, Baud MGJ, Weston CE, et al., 2015, Dual wavelength asymmetric photochemical synthesis with circularly polarized light, Chemical Science, Vol: 6, Pages: 3853-3862, ISSN: 2041-6539
Harvey MJ, Mason NJ, Rzepa HS, 2014, Digital Data Repositories in Chemistry and Their Integration with Journals and Electronic Notebooks, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol: 54, Pages: 2627-2635, ISSN: 1549-9596
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- Citations: 13
Jana A, Omlor I, Huch V, et al., 2014, N-Heterocyclic Carbene Coordinated Neutral and Cationic Heavier Cyclopropylidenes, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol: 53, Pages: 9953-9956, ISSN: 1433-7851
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- Citations: 53
Lal S, Rzepa HS, Diez-Gonzalez S, 2014, Catalytic and computational studies of N-Heterocyclic carbene or phosphine-containing Copper(I) complexes for the synthesis of 5-lodo-1,2,3-Triazoles, ACS Catalysis, Vol: 4, Pages: 2274-2287, ISSN: 2155-5435
Two complementary catalytic systems are reported for the 1,3-dipolar cycloaddition of azides and iodoalkynes. These are based on two commercially available/readily available copper complexes, [CuCl(IPr)] or [CuI(PPh3)3], which are active at low metal loadings (PPh3 system) or in the absence of any other additive (IPr system). These systems were used for the first reported mechanistic studies on this particular reaction. An experimental/computational-DFT approach allowed to establish that (1) some iodoalkynes might be prone to dehalogenation under copper catalysis conditions and, more importantly, (2) two distinct mechanistic pathways are likely to be competitive with these catalysts, either through a copper(III) metallacycle or via direct π-activation of the starting iodoalkyne.
Rzepa HS, 2014, The rational design of helium bonds (vol 2, pg 390, 2010), NATURE CHEMISTRY, Vol: 6, Pages: 650-650, ISSN: 1755-4330
Rzepa HS, 2014, The importance of being bonded (vol 1, pg 510, 2009), NATURE CHEMISTRY, Vol: 6, Pages: 650-650, ISSN: 1755-4330
Danovich D, Hiberty PC, Wu W, et al., 2014, The Nature of the Fourth Bond in the Ground State of C<sub>2</sub> : The Quadruple Bond Conundrum, CHEMISTRY-A EUROPEAN JOURNAL, Vol: 20, Pages: 6220-6232, ISSN: 0947-6539
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- Citations: 74
Rzepa HS, Harvey MS, Mason N, 2014, Digital data repositories in chemistry and their integration with journals and electronic laboratory notebooks, 247th National Spring Meeting of the American-Chemical-Society (ACS), Publisher: AMER CHEMICAL SOC, ISSN: 0065-7727
Armstrong A, Boto RA, Dingwall P, et al., 2014, The Houk-List transition states for organocatalytic mechanisms revisited, CHEMICAL SCIENCE, Vol: 5, Pages: 2057-2071, ISSN: 2041-6520
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- Citations: 131
Berger RJF, Fuchter MJ, Krossing I, et al., 2014, Gold(I) mediated rearrangement of [7]-helicene to give a benzo[<i>cd</i>]pyrenium cation embedded in a chiral framework, CHEMICAL COMMUNICATIONS, Vol: 50, Pages: 5251-5253, ISSN: 1359-7345
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- Citations: 7
Cherblanc FL, Lo Y-P, Herrebout WA, et al., 2013, Mechanistic and Chiroptical Studies on the Desulfurization of Epidithiodioxopiperazines Reveal Universal Retention of Configuration at the Bridgehead Carbon Atoms, JOURNAL OF ORGANIC CHEMISTRY, Vol: 78, Pages: 11646-11655, ISSN: 0022-3263
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- Citations: 14
Grau M, England J, de Rosales RTM, et al., 2013, Coordination Equilibria Between Seven- and Five-coordinate Iron(II) Complexes, INORGANIC CHEMISTRY, Vol: 52, Pages: 11867-11874, ISSN: 0020-1669
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- Citations: 19
Cowley MJ, Huch V, Rzepa HS, et al., 2013, Equilibrium between a cyclotrisilene and an isolable base adduct of a disilenyl silylene, NATURE CHEMISTRY, Vol: 5, Pages: 876-879, ISSN: 1755-4330
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- Citations: 81
Rzepa HS, Wentrup C, 2013, Mechanistic Diversity in Thermal Fragmentation Reactions: A Computational Exploration of CO and CO<sub>2</sub> Extrusions from Five-Membered Rings, JOURNAL OF ORGANIC CHEMISTRY, Vol: 78, Pages: 7565-7574, ISSN: 0022-3263
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- Citations: 31
McKee WC, Wu JI, Rzepa HS, et al., 2013, A Huckel Theory Perspective on Mobius Aromaticity, ORGANIC LETTERS, Vol: 15, Pages: 3432-3435, ISSN: 1523-7060
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- Citations: 16
Gomes MJS, Pinto LFV, Gloria PMC, et al., 2013, <i>N</i>-heteroatom substitution effect in 3-aza-cope rearrangements, CHEMISTRY CENTRAL JOURNAL, Vol: 7, ISSN: 1752-153X
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- Citations: 7
Rzepa HS, 2013, A Computational Evaluation of the Evidence for the Synthesis of 1,3-Dimethylcyclobutadiene in the Solid State and Aqueous Solution, CHEMISTRY-A EUROPEAN JOURNAL, Vol: 19, Pages: 4932-4937, ISSN: 0947-6539
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- Citations: 5
Rzepa HS, 2013, Chemical datuments as scientific enablers, JOURNAL OF CHEMINFORMATICS, Vol: 5, ISSN: 1758-2946
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- Citations: 7
Danovich D, Shaik S, Rzepa HS, et al., 2013, A Response to the Critical Comments on "One Molecule, Two Atoms, Three Views, Four Bonds?", ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol: 52, Pages: 5926-5928, ISSN: 1433-7851
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- Citations: 55
Shaik S, Rzepa HS, Hoffmann R, 2013, One Molecule, Two Atoms, Three Views, Four Bonds?, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol: 52, Pages: 3020-3033, ISSN: 1433-7851
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- Citations: 114
Braddock DC, Clarke J, Rzepa HS, 2013, Epoxidation of bromoallenes connects red algae metabolites by an intersecting bromoallene oxide - Favorskii manifold, CHEMICAL COMMUNICATIONS, Vol: 49, Pages: 11176-11178, ISSN: 1359-7345
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- Citations: 8
Doddi A, Gemel C, Winter M, et al., 2013, Low-Valent Ge<sub>2</sub> and Ge<sub>4</sub> Species Trapped by N-Heterocyclic Gallylene, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol: 52, Pages: 450-454, ISSN: 1433-7851
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- Citations: 34
Doddi A, Gemel C, Winter M, et al., 2013, Low-Valent Ge<sub>2</sub> and Ge<sub>4</sub> Species Trapped by N-Heterocyclic Gallylene (vol 25, pg 450, 2013), ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol: 52, Pages: 2148-2148, ISSN: 1433-7851
Abersfelder K, Russell A, Rzepa HS, et al., 2012, Contraction and Expansion of the Silicon Scaffold of Stable Si<sub>6</sub>R<sub>6</sub> Isomers, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 134, Pages: 16008-16016, ISSN: 0002-7863
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- Citations: 63
Buchard A, Jutz F, Kember MR, et al., 2012, Experimental and Computational Investigation of the Mechanism of Carbon Dioxide/Cyclohexene Oxide Copolymerization Using a Dizinc Catalyst, MACROMOLECULES, Vol: 45, Pages: 6781-6795, ISSN: 0024-9297
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- Citations: 102
Arbour JL, Rzepa HS, Contreras-Garcia J, et al., 2012, Silver-Catalysed Enantioselective Addition of O-H and N-H Bonds to Allenes: A New Model for Stereoselectivity Based on Noncovalent Interactions, CHEMISTRY-A EUROPEAN JOURNAL, Vol: 18, Pages: 11317-11324, ISSN: 0947-6539
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- Citations: 40
Rzepa HS, 2012, Changing ways of sharing research in chemistry, 244th National Fall Meeting of the American-Chemical-Society (ACS), Publisher: AMER CHEMICAL SOC, ISSN: 0065-7727
Murray-Rust P, Rzepa HS, 2012, Semantic physical science, JOURNAL OF CHEMINFORMATICS, Vol: 4, ISSN: 1758-2946
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- Citations: 2
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