Imperial College London
Professor Henry S. Rzepa

Professor Henry S. Rzepa

Faculty of Natural Sciences, Department of Chemistry

Emeritus Professor of Computational Chemistry
 
 
 
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Contact

 

+44 (0)7514 623 653h.rzepa Website

 
 
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Location

 

501AMolecular Sciences Research HubWhite City Campus

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Summary

 

Publications

Publication Type
Year
to

462 results found

Murray-Rust P, Mitchell JBO, Rzepa HS, 2005, Communication and re-use of chemical information in bioscience, BMC BIOINFORMATICS, Vol: 6, ISSN: 1471-2105

Journal article

Murray-Rust P, Mitchell JBO, Rzepa HS, 2005, Chemistry in Bioinformatics, BMC BIOINFORMATICS, Vol: 6, ISSN: 1471-2105

Journal article

Murray-Rust P, Rzepa HS, Tyrrell SM, Zhang Yet al., 2005, Erratum: Representation and use of chemistry in the global electronic age (Organic and Biomolecular Chemistry (2004) 2 (3192-3203) DOI: 10.1039/b410732b), Organic and Biomolecular Chemistry, Vol: 3, ISSN: 1477-0520

Journal article

Wakelin J, Murray-Rust P, Tyrrell S, Zhang Y, Rzepa HS, García Aet al., 2005, CML tools and information flow in atomic scale simulations, MOLECULAR SIMULATION, Vol: 31, Pages: 315-322, ISSN: 0892-7022

Journal article

Marshall EL, Gibson VC, Rzepa HS, 2005, A computational analysis of the ring-opening polymerization of rac-lactide Initiated by single-site beta diketiminate metal complexes: defining the mechanistic pathway and the origin of stereocontrol, Journal of the American Chemical Society, Vol: 127, Pages: 6048-6051, ISSN: 0002-7863

Journal article

Marshall EL, Gibson VC, Rzepa HS, 2005, A computational analysis of the ring-opening polymerization of rac-lactide Initiated by single-site beta diketiminate metal complexes: defining the mechanistic pathway and the origin of stereocontrol, Journal of the American Chemical Society, Vol: 127, Pages: 6048-6051, ISSN: 0002-7863

Journal article

Murray-Rust P, Rzepa HS, 2005, Open access and the Chemical Semantic Web., 229th National Meeting of the American-Chemical-Society (ACS), Publisher: AMER CHEMICAL SOC, Pages: U601-U601, ISSN: 0065-7727

Conference paper

Rzepa HS, Casher O, Murray-Rust P, 2005, RDF-based molecular relationships, the Semantic Web and the future of scientific publishing., 229th National Meeting of the American-Chemical-Society, Publisher: AMER CHEMICAL SOC, Pages: U601-U602, ISSN: 0065-7727

Conference paper

Cass ME, Rzepa HS, Rzepa DR, Williams CKet al., 2005, An animated interactive overview of molecular symmetry, Journal of Chemical Education, Vol: 82, Pages: 1742-1743, ISSN: 0021-9584

  • Cite
  • Citations: 10
Journal article

Rzepa HS, 2005, A Double-Twist Mbius-Aromatic Conformation of [14]Annulene, Organic Letters, Vol: 7, Pages: 4637-4639, ISSN: 1523-7060

Journal article

Rzepa HS, 2005, Double-twist Mobius aromaticity in a 4<i>n</i>+2 electron electrocyclic reaction, CHEMICAL COMMUNICATIONS, Pages: 5220-5222, ISSN: 1359-7345

Journal article

Asseily GA, Davies RP, Rzepa HS, White AJPet al., 2005, A solid-state structural and theoretical study on the 1:1 addition compounds of thioethers with dihalogens and interhalogens I-X (X = I, Br, Cl), NEW JOURNAL OF CHEMISTRY, Vol: 29, Pages: 315-319, ISSN: 1144-0546

Journal article

Rzepa HS, 2005, Chemistry resources in the electronic age, PROGRAM-ELECTRONIC LIBRARY AND INFORMATION SYSTEMS, Vol: 39, Pages: 167-169, ISSN: 0033-0337

Journal article

Rzepa H, Sanderson N, 2005, Aromaticity on the edge of chaos: an Ab initio CCSD(T) study of the bimodal balance between aromatic and non-aromatic structures for 10-p-diheterocins and heteronins, Molecular Physics, Vol: 103, Pages: 401-405, ISSN: 0026-8976

Journal article

Murray-Rust P, Rzepa HS, Tyrrell SM, Zhang Yet al., 2005, Representation and use of chemistry in the global electronic age (vol 2, pg 3192, 2004), ORGANIC & BIOMOLECULAR CHEMISTRY, Vol: 3, Pages: 2037-2037, ISSN: 1477-0520

Journal article

Coles SJ, Day NE, Murray-Rust P, Rzepa HS, Zhang Yet al., 2005, Enhancement of the chemical semantic web through the use of InChI identifiers, ORGANIC & BIOMOLECULAR CHEMISTRY, Vol: 3, Pages: 1832-1834, ISSN: 1477-0520

Journal article

Hutchison JR, Rzepa HS, 2004, Foliacenes: Ab initio modeling of metallocomplexes exhibiting a unique form of 16-electron, metal-induced aromaticity, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 126, Pages: 14865-14870, ISSN: 0002-7863

Journal article

Tellmann KF, Humphries MJ, Rzepa HS, Gibson VCet al., 2004, Experimental and computational study of β-H transfer between cobalt(I) alkyl complexes and 1-alkenes, ORGANOMETALLICS, Vol: 23, Pages: 5503-5513, ISSN: 0276-7333

Journal article

Gibson VC, Marshall EL, Rzepa HS, 2004, Computational study on the ring-opening polymerization of lactide initiated by β-diketiminate metal alkoxides:: 2.: The origin of heterotactic stereocontrol., 228th National Meeting of the American-Chemical-Society, Publisher: AMER CHEMICAL SOC, Pages: U363-U363, ISSN: 0065-7727

Conference paper

Gibson VC, Marshall EL, Rzepa HS, 2004, Computational study on the ring-opening polymerization of lactide initiated by β-diketiminate metal alkoxides:: 1.: The mechanism of chain propagation., Meeting of the Division of Chemical Toxicology of the American-Chemical-Society held at the 228th National Meeting of the American-Chemical-Society, Publisher: AMER CHEMICAL SOC, Pages: U377-U377, ISSN: 0065-7727

Conference paper

GIGANTE B, MARCELOCURTO MJ, LOBO AM, PRABHAKAR S, OMAHONEY C, RZEPA HS, WILLIAMS DJet al., 2004, PHOTODIMERIZATION OF AROMATIC RESIN ACIDS, JOURNAL OF NATURAL PRODUCTS, Vol: 54, Pages: 247-253, ISSN: 0163-3864

Journal article

GIGANTE B, MARCELOCURTO MJ, LOBO AM, PRABHAKAR S, SLAWIN AJ, RZEPA HS, WILLIAMS DJet al., 2004, PHOTOOXIDATION OF RESIN ACIDS, JOURNAL OF NATURAL PRODUCTS, Vol: 52, Pages: 85-94, ISSN: 0163-3864

Journal article

Rzepa HS, 2004, From Dewar's structure for stipitatic acid to mobius aromatics., 227th National Meeting of the American-Chemical Society, Publisher: AMER CHEMICAL SOC, Pages: U898-U898, ISSN: 0065-7727

Conference paper

Zhang Y, Glen RC, Murray-Rust P, Rzepa HS, Townsend JAet al., 2004, Semantic grid computing - The WorldWideMolecularMatrix., 227th National Meeting of the American-Chemical Society, Publisher: AMER CHEMICAL SOC, Pages: U682-U682, ISSN: 0065-7727

Conference paper

Rzepa HS, Sanderson N, 2004, Aromaticity on the edge of chaos:: An <i>ab initio</i> study of the bimodal balance between aromatic and non-aromatic structures for 10π-dihetero[8]annulenes, ESF Exploratory Workshop on New Perspectives on Aromaticity, Publisher: ROYAL SOC CHEMISTRY, Pages: 310-313, ISSN: 1463-9076

Conference paper

Murray-Rust P, Rzepa HS, Williamson MJ, Willighagen ELet al., 2004, Chemical Markup, XML, and the World Wide Web. 5. Applications of chemical metadata in RSS aggregators, JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, Vol: 44, Pages: 462-469, ISSN: 0095-2338

Journal article

Briggs CRS, O'Hagan D, Rzepa HS, Slawin AMZet al., 2004, Solid state and theoretical evaluation of β-fluoroethyl esters indicate a fluorine-ester gauche effect, JOURNAL OF FLUORINE CHEMISTRY, Vol: 125, Pages: 19-25, ISSN: 0022-1139

Journal article

Murray-Rust P, Rzepa HS, 2004, The next big thing: from hypermedia to datuments (Article no. 248), Journal of Digital Information, Vol: 5, ISSN: 1368-7506

Journal article

Murray-Rust P, Rzepa HS, 2004, Towards a semantic web for chemistry in lifescience (Available online), W3C workshop on semantic web for life sciences, Cambridge, Massachusetts USA, 27 - 28 October 2004, Publisher: W3C Technology and Society domain

Conference paper

Murray-Rust P, Rzepa HS, Tyrrell SM, Zhang Yet al., 2004, Representation and use of chemistry in the global electronic age, ORGANIC & BIOMOLECULAR CHEMISTRY, Vol: 2, Pages: 3192-3203, ISSN: 1477-0520

Journal article

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