H. S. Rzepa. Publications 1993 - 2010.

[1993|1994|1995|1996|1997|1998|1999|2000|2001|2002|2003|2004]2005|2006|2007|2008|2009|2010|2011
1993 Publications.
  1. Computer Network Speak, H. S. Rzepa, Chemistry In Britain, 1993 [1.1] 29, 28.
  2. Reduction Of Nitrosobenzene By 2-(α-Hydroxyethyl)-3,4-Dimethylthiazolium Salts Au: I. M. Ferreira, H. T. Chaves, A. M. Lobo, S. Prabhakar, H. S. Rzepa, J. Chem. Soc., Chem. Commun, 1993, 133. [3.2]
  3. Ensuring Software Reliability, H. S. Rzepa, Chem. Ind., 1993, 591. [0.4]
  4. An MCSCF Study Of The Effect Of Substituents And Solvent On The [2+2]Cycloaddition Of Tert-Butylcyanoketene To Phenylethene M. Reguero, R. R. Pappalardo, M. A. Robb, H. S. Rzepa, J. Chem. Soc. Perkin Transactions 2, 1993, 1499. [1.8]
  5. Electronic Effects In π-Facially Stereoselective Epoxidation Of Phenyltrifluoromethylpropenol . O. Casher, D. O'Hagan, C. A. Rosenkranz, H. S. Rzepa, N. A. Zaidi, J. Chem. Soc., Chem. Commun. , 1993, 1337. [3.2]
  6. Theoretical Calculations of Benzoquinone Redox Potentials Using the COSMO Continuum Solvation Model. H. S. Rzepa and G. A. Suner, J. Chem. Soc., Chem. Commun., 1993, 1743. [3.2]
  7. Normal Modes of 4-Aminobenzonitrile. A comparison of PM3 Calculations with Experimental jet-cooled Spectroscopy. H. Yu, E. Joslin, S. M. Zain, H. S. Rzepa and D. Phillips, Chemical Physics, , 1993, 178, 483. [2.0]
    [1993|1994|1995|1996|1997|1998|1999|2000|2001|2002|2003|2004]2005|2006|2007|2008|2009|2010|2011
    1994 Publications.
  8. D. O'Hagan and H. S. Rzepa, Stereoelectronic Influence of Fluorine in Enzyme Resolutions of α-Fluoroesters,J. Chem. Soc., Perkin Trans 2., 1994, 3. [1.8]
  9. M. Hilton, P. Fisk, B. Odell, H. S. Rzepa, D. J. Williams and M. Y. Yi, A Crystallographic and PM3-COSMO SCF-MO Study of the Structure and Properties of Aryl Thiazinone Derivatives, J. Chem. Soc., Perkin Trans 2., 1994, 185. [1.8]
  10. Intermolecular Interactions Responsible for the Absence of Chiral Recognition: Aromatic C-H...O Hydrogen Bonding in the Crystal Structure of 3-Chloro-α-(2-(Dibutylamino)Ethyl)-6-Trifluomethyl-9-Phenanthrene Methanol Hydrochloride, P. Camilleri, D. S. Eggleston, H. S. Rzepa and M. L. Webb, J. Chem. Soc., Chem. Commmun.., 1994, 1135. [3.2]
  11. A Proposal of a Primary MIME Content Type of Chemical, H. S. Rzepa and P. Murray-Rust, 1994, May-November.
  12. Selective π-Facial Binding of Metal Cations to Tri-Indenotriphenylene as a Possible Catalytic Route to C60 Precursors: A MNDO, PM3 and Ab initio SCF-MO Study, J. Plater, H S Rzepa, F. Stoppa and S. Stossel, J. Chem. Soc., Perkin Trans 2. 1994, 399. [1.8]
  13. A Crystallographic and PM3 SCF-MO Investigation of Strong OH... π-Alkene and Alkyne Hydrogen Bonding Interactions. H. S. Rzepa, M. H. Smith and M. L. Webb, J. Chem. Soc., Perkin Trans 2., 1994, 703. [1.8]
  14. EyeChem 1.0: A Modular Chemistry Toolkit for Collaborative Molecular Visualisation. Omer Casher, H. S Rzepa and Stuart M. Green J. Mol. Graphics,12, 226. [2.0]
    [1993|1994|1995|1996|1997|1998|1999|2000|2001|2002|2003|2004]2005|2006|2007|2008|2009|2010|2011
  15. π-Facial Hydrogen bonding in the Chiral resolving agent 2,2,2-Trifluoromethyl-9-anthyl-ethanol and its racemic modification, H. S. Rzepa and M. L. Webb,Chirality, 1994, 6, 245.
  16. An SCF-MO Study of the Dimerisation Reaction of Hemifullerene (C30H12) to the Potential Fullerene precursor C60H24, M. J. Plater, H. S. Rzepa and S. Stossel, J. Chem. Soc., Chem. Commun., 1994, 1567. [3.2]
  17. Theoretical Study of the Solvatochromic Properties of Rhodamines using the AM1 and PM3/COSMO Solvation Mode, H. S. Rzepa and G. Suner, J. Chem. Soc., Perkin Trans 2, 1397. [1.8]
  18. Stereoelectronic Effects of Fluorine in Enzyme Chemistry. Stereospecific Control of the Citrate Synthase Mediated Synthesis of (2R,3R) 3-Fluorocitrate by the Relative Stabilities of the Intermediate Fluoroenolates, D. O'Hagan and H. S. Rzepa, J. Chem. Soc., Chem. Commun., 1994, 2029. [3.2]
  19. Chemical Applications of the World-Wide-Web, H. S. Rzepa, B. J. Whitaker and M. J. Winter, J. Chem. Soc., Chem. Commun., 1994, 1907. DOI: 10.1039/C39940001907
  20. Electronic Serendipity: The Gopher and World-Wide-Web Systems and Chemical Information Delivery, H. S. Rzepa, Chemical Design Automation News, 1994, 9 (2), 1.
    [1993|1994|1995|1996|1997|1998|1999|2000|2001|2002|2003|2004]2005|2006|2007|2008|2009|2010|2011
    1995 Publications.
  21. BisPyridyl and BisQuinolylMethanes. NMR Based charge-Mapping of the Carbanions and Metal Ligand Properties, A. Abbotto, S. Bradamante, G. A. Pagani, H. S. Rzepa and F. Stoppa, Heterocycles, 1995, 40, 757-776
  22. Hyperactive Molecules and the World-Wide-Web Information System, O. Casher, G. Chandramohan, M. Hargreaves, C. Leach, P. Murray-Rust, R. Sayle, H. S. Rzepa and B. J. Whitaker, J. Chem. Soc., Perkin Trans 2, 1995, 7. DOI: 10.1039/P29950000007
  23. Solvation Difference Maps as Probes of Intramolecular Hydrogen Bonding: An Application of Hyperactive Molecules, H. S. Rzepa, C. Leach and O. Casher, Proceedings of the First Electronic Computational Chemistry Conference, Royal Society of Chemistry, 1995.
  24. A Chemical Collaboratory using Explorer EyeChem and the Common Client Interface, O. Casher and H. S. Rzepa, Computer Graphics, 1995, 29, 52.
  25. A Photoelectron Spectroscopic Study of the Thermal Decomposition of 2-pyrolidinone and 2-pyrolidinethione, W. S. Chin, C. K. Mok, H. H. Huang and H. S. Rzepa, J. Chem. Soc., Perkin Trans 2, 1995, 427. [1.8]
    [1993|1994|1995|1996|1997|1998|1999|2000|2001|2002|2003|2004]2005|2006|2007|2008|2009|2010|2011
  26. Studies on Imidazole and Pyrazole Protonation using Electrostatically Trained Neural Networks, H. Broughton, S. M. Green and H. S. Rzepa, J. Chem. Soc., Perkin Trans 2, 1995, 431. [1.8]
  27. Chemistry Electronic Conferences, H. S. Rzepa, Trends in Analytical Chemistry, 1995, 14, 240-242.
  28. World-Wide-Web: Chemical Chaos or Global Scientific Enabler, H. S. Rzepa, Lab. Inf. Man., 1995, 31, 47-52.
  29. Chemical Collaboratories using World-Wide Web Servers and EyeChem Based Viewers, O. Casher and H. S. Rzepa, J. Mol. Graphics,1995, 13, 268. [2.2]
  30. The Future of Electronic Journals in Chemistry, H. S. Rzepa, Trends in Analytical Chemistry, 1995, 14, 464.
  31. Chemistry and the World-Wide-Web, H. S. Rzepa, chapter in "The Internet: A Guide for Chemists", Ed. S. Bachrach, American Chemical Society, 1995.
  32. Chemical Publishing on the Internet, B. J. Whitaker and H. S. Rzepa, International Conference on Chemical Information, Nimes, France, October 24, 1995.
  33. Surfing the Chemical Net, M. J. Winter, H. S. Rzepa and B. J. Whitaker, Chem. Brit., 1995, 685. [1.1]
  34. S. M. Bachrach, W. Hase, D. B. Boyd, H. S. Rzepa, S. K. Gray, (Editors), Proceedings of the First Electronic Computational Chemistry Conference: CD ROM Version, (1995) Publisher: (ARInternet Corp., Landover, Md.).
    [1993|1994|1995|1996|1997|1998|1999|2000|2001|2002|2003|2004]2005|2006|2007|2008|2009|2010|2011
    1996 Publications.
  35. Diheteromethanes. Part 6. Probing the Electron-Withdrawing Rank of Heteroaryl Groups by Conformational Studies of Push-Pull Ethylenes. Isolation of NH-Enamine Tautomers of a,a,diheteroarylacetaldehydes, A. Abbatto, S. Bradamante, N. Capri, H. S. Rzepa, D. J. Williams and A. White, J. Org. Chem., 1996, 61, 1770.
  36. The Case for Content Integrity in Electronic Chemistry Journals: The CLIC Project, D. James, B. J. Whitaker, C. Hildyard, H. S. Rzepa, O. Casher, J. M. Goodman, D. Riddick and P. Murray-Rust, , New. Rev. Information Networking, 1996, 61.
  37. Proceedings of the First Electronic Conference on Trends in Organic Chemistry (ECTOC-1), H. S. Rzepa, J. M. Goodman and C. Leach (Editors), ISBN 0 85404 899 5, CD ROM Version, The Royal Society of Chemistry, 1996.
  38. NH...π Hydrogen Bonding Interactions: A Structural and Theoretical Investigation, C. S. Page and H. S. Rzepa, "Electronic Conference on Trends in Organic Chemistry (ECTOC-1) ISBN 0 85404 899 5, Eds. H. S. Rzepa, J. M. Goodman and C. Leach (CD-ROM), Royal Society of Chemistry publications, 1996.
  39. A Molecular Hyperglossary: Organic Molecular information in Hypermedia Form, C. Leach, P. Murray-Rust and H. S. Rzepa, Electronic Conference on Trends in Organic Chemistry (ECTOC-1) ISBN 0 85404 899 5, Eds. H. S. Rzepa, J. M. Goodman and C. Leach (CD-ROM), Royal Society of Chemistry publications, 1996.
  40. Synthesis and Structural Hydrogen Bonding of 2-Ethynyl Adamantane Systems, Michael B. Keller, H. S. Rzepa, A. J. P. White and D. J. Williams, Electronic Conference on Trends in Organic Chemistry (ECTOC-1) ISBN 0 85404 899 5, Eds. H. S. Rzepa, J. M. Goodman and C. Leach (CD-ROM), Royal Society of Chemistry publications, 1996.
  41. Stereochemistry of Sulphur Oxidation in 1,3-Dithianes, P. C. Bulman Page, R. D. Wilkes, D. Bethell, H. S. Rzepa, J. V. Barkley, and H. Chaves, Electronic Conference on Trends in Organic Chemistry (ECTOC-1) ISBN 0 85404 899 5, Eds. H. S. Rzepa, J. M. Goodman and C. Leach (CD-ROM), Royal Society of Chemistry publications, 1996.
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  42. Advanced VRML Based Chemistry Applications: A 3D Molecular Hyperglossary, O. Casher, C. Leach, C. S. Page and H. S. Rzepa, Theochem, 1996, 368, 49.
  43. The CLIC Electronic Chemistry Journal Project", H. S. Rzepa, Ariadne, 1996, Issue 1.
  44. Publishing Chemistry on the Internet, S. M. Bachrach, P. Murray-Rust, H. S. Rzepa, B. J. Whitaker, Network Sci. [Electronic Publication] , (1996), 2(3).
  45. H. S. Rzepa, Science and the Internet: The World-Wide Web, Science Progress, 1996, 79, 97.
  46. A Paradigm Shift in Chemistry Electronic Publishing, H. S. Rzepa, O. Casher and B J. Whitaker, Proceedings of the 1996 International Chemical Information Conference, Nimes, October 1996. ISBN 1-873699-38-7
  47. The Chemical MIME Project: A Working Example, H. S. Rzepa, W. Locke, P. Murray Rust, B. Whitaker, 5th International Conference on Perspectives On Protein Engineering 1996, 1996, Montpellier, France. CD ROM: ISBN 0952901501.
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    1997 Publications.
  48. Proceedings of the Electronic Conference on Trends in Heterocyclic Chemistry (ECHET96), H. S. Rzepa, J. Snyder and C. Leach, (Eds), ISBN 0-85404-894-4, CD ROM Version, The Royal Society of Chemistry, 1997.
  49. Similarity analysis of chemical content within ECHET96 contributions, C. Leach and H. S. Rzepa, Electronic Conference on Trends in Heterocyclic Chemistry (ECHET96), H. S. Rzepa, J. Snyder and C. Leach, (Eds), ISBN 0-85404-894-4, CD ROM Version, The Royal Society of Chemistry, 1997.
  50. Conference access statistics and the browsing habits of ECHET96 readers, C. Leach and H. S. Rzepa, Electronic Conference on Trends in Heterocyclic Chemistry (ECHET96), H. S. Rzepa, J. Snyder and C. Leach, (Eds), ISBN 0-85404-894-4, CD ROM Version, The Royal Society of Chemistry, 1997.
  51. HyperWave: An Electronic Conference Manager, O. Casher and H. S. Rzepa Electronic Conference on Trends in Heterocyclic Chemistry (ECHET96), H. S. Rzepa, J. Snyder and C. Leach, (Eds), ISBN 0-85404-894-4, CD ROM Version, The Royal Society of Chemistry, 1997.
  52. Some influences of Fluorine in Bioorganic chemistry, D. O'Hagan and H. S Rzepa, ChemComm., 1997, 645-652. [3.2]
  53. The Internet as a Chemical Information Tool", H. S. Rzepa, P. Murray-Rust and B. J. Whitaker, Chem. Soc. Revs, 1997, 1-10. [6.7]
  54. "The Chemical MIME Project", H. S. Rzepa, P. Murray-Rust and B. J. Whitaker, Chem. Intl., 1997, 19, 17.
  55. The Internet as a Computational Chemistry Tool", H. S. Rzepa, Theochem, 1997, 398-399, 27-33
  56. Developing an Undergraduate Chemical IT Course, H. S. Rzepa, The Alchemist, 1997, August issue.
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    1998 Publications.
  57. Proceedings of the Electronic Conference on Trends in Organometallic Chemistry (ECTOC-3), H. S. Rzepa and C. Leach, (Eds), ISBN 0-85404-889-8, CD ROM Version, The Royal Society of Chemistry, 1998.
  58. PM3 Calculations on a porphyrinic-host catalized intermolecular Diels-Alder reaction, H. S. Rzepa, C. Conesa-Moratilla, "Electronic Conference on Trends in Organometallic Chemistry (ECTOC-3) ISBN 0-85404-889-8, Eds. H. S. Rzepa and C. Leach (CD-ROM), Royal Society of Chemistry publications, 1998.
  59. Elemental and Molecular Heritage: An Internet-based Display, H. S. Rzepa, Molecules, 1998, 4, 94.
  60. Internet-based Computational Chemistry Tools, H. S. Rzepa, in Encyclopaedia of Computational Chemistry, Wiley, 1998,1426.
  61. The Application of Chemical Multipurpose Internet Mail Extensions (Chemical MIME) Internet Standards to Electronic Mail and World-Wide Web information exchange, H. S. Rzepa, P. Murray-Rust and B. J. Whitaker, J. Chem. Inf. Comp. Sci., 1998, 38, 976-982. [2.1]
  62. VChemLab: A Virtual Chemistry Laboratory. The storage, retrieval and display of chemical information using standard Internet Tools, H. S. Rzepa and A. P. Tonge, J. Chem. Inf. Comp. Sci., 1998, 38, 1048-1053. [2.1]
  63. PM3 and ab initio studies of the C8H8 potential energy surfaces. C. Conesa and H. S. Rzepa., J Chem. Soc., Perkin Trans. 2, 1998, 857. [1.8]
  64. Virtual Reality Modelling Language (VRML) in Chemistry, O. Casher, C. Leach, C. S. Page and H. S. Rzepa, Chem. in Brit., 1998, 34(9), 26. [1.1]
  65. A History of Hyperactive Chemistry on the Web: From Text and Images to Objects, Models and Molecular Components. H. S. Rzepa, Chimia, 1998, 52, 653-657.
  66. Re-engineering potential energy surfaces: Trapezoidally distorted p2s+p2s Thermal Cycloaddition/elimination Reactions, C. Conesa and H. S. Rzepa, J Chem. Soc., Perkin Trans. 2, 1998, 2695. [1.8]
  67. Dubious DNA, H. S. Rzepa, New Scientist, 1998, 58, 65.
  68. Theoretical Structure and Aromaticity of Scorpionine Derivatives, H. S. Rzepa, C. Conesa, "Electronic Conference on Heterocyclic Chemistry (ECHET98) ISBN 0-85404-889-8, H. S.Rzepa and O. Kappe, (Eds), Imperial College Press.
  69. The Internet as a medium for Science Communication, H. S. Rzepa, Science Communication, Open University Press, 1998.
  70. Reflecting the Sea Change, H. S. Rzepa, Chem. Ind., 1998, 984. [0.4]
  71. W. Locke and H. S. Rzepa in Exploring Materials, Science Museum, 1998, ISBN 1-900747-11-1.
  72. MoldaNet. A Network Distributed Molecular Graphics and Modelling Program that Integrates Secure Signed Applet and Java 3D Technologies, H. Yoshida, H. S. Rzepa, A. P. Tonge, J. Mol. Graph. Mod., 1998, 16, 144-149. [2.0]
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    1999 Publications.
  73. Authentication of Internet-based Distributed Computing Models in Chemistry,(see DOI) A. P. Tonge, H. S. Rzepa and Hiroshi Yoshida, J. Chem. Inf. Comp. Sci., 1999, 39, 483-490. [2.1]
  74. The Internet as a Computational Chemistry Tool, H. S. Rzepa, J. Mol. Struct (Theochem), 1999, 463, 217.
  75. Chemical markup Language and XML Part I. Basic principles (see DOI or reprint), P. Murray-Rust and H. S. Rzepa, J. Chem. Inf. Comp. Sci., 1999, 39, 928.
  76. Ab initio SCF-MO study of the Staudinger phosphorylation reaction between a phosphane and an Azide to form a Phosphazene, M. Alajarin, C. Conesaa, and H S. Rzepa, Perkin Trans. 2, 1999, 1811-1814.
  77. The Preferred Conformation of a-Fluoropeptides, J. Banks, A. S. Batsanov, J. A. K. Howard, D. O'Hagan, H. S Rzepa and S. Martin-Santamaria, Perkin Trans. 2, 1999, 2409-2411.
  78. Use of Meta-data in Chemical Content Relevancy Ranking, G. V. Gkoutos and H. S. Rzepa, Electronic Conference on Synthesis in Organic Chemistry (ECSOC), CD-ROM, 1999.
  79. An ab initio and MNDO-d SCF-MO Computational Study of Stereoelectronic Control in Extrusion Reactions of R2I-F Iodine (III) Intermediates, M. A. Carroll, S. Martin-Santamaria, V. W. Pike, H. S. Rzepa and D. A. Widdowson, Perkin Trans. 2, 1999, 2707-2714.
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    2000 Publications.
  80. Fluoridation of Heteroaromatic Iodonium Salts: Experimental Evidence Supporting Theoretical Prediction of the Selectivity of the Process, S. Mart'n-Santamar'a, M. A. Carroll, C. M. Carroll, C. D. Carter, V. W. Pike, H. S. Rzepa, David A. Widdowson, ChemComm, 2000, 649.
  81. Hierarchical display of Chemical Data in Web Browsers, Georgios V. Gkoutos, H. S. Rzepa and Michael Wright, Internet J. Chem., 2000, 3, article 7.
  82. A Mechanism for Creating Chemically Oriented Internet Search Channels, Georgios V. Gkoutos and H. S. Rzepa, Internet J. Chem., 2000, 3, 2000, 3, article 8.
  83. Huckel and Mobius Aromaticity and Trimerous transition state behaviour in the Pericyclic Reactions of [10], [14], [16] and [18] Annulenes. Sonsoles Martên-Santamarêa, Balasundaram Lavan and H. S. Rzepa, J. Chem. Soc., Perkin Trans 2, 2000, 1415.
  84. Mobius Aromatics arising from a C=C=C ring component. Martên-Santamarêa, and H. S. Rzepa, ChemComm., 2000, 1089.
  85. Double Aromaticity and Anti-aromaticity in Small Carbon Rings. S. Martên-Santamarêa and H. S. Rzepa, ChemComm, 2000, 1503-1504.
  86. An ab initio and MNDO-d SCF-MO Computational Study of Extrusion Reactions of R2I-F Iodine (III) via Dimeric, Trimer and Tetrameric Transition States. S. Martên-Santamarêa, M. A. Carroll, Victor W. Pike H. S. Rzepa and D. A. Widdowson, J. Chem. Soc., Perkin Transactions 2, 2000, 2158-2161.
  87. A Universal approach to Web-based Chemistry using XML and CML, P. Murray-Rust, H. S. Rzepa, M. Wright and S. Zara, ChemComm, 2000, 1471-1472.
  88. Mobius and Huckel Molecular Orbitals arising from C=C=C components in Annulene rings, S. Martên-Santamarêa and H S. Rzepa, J. Chem. Soc., Perkin Transactions 2, 2000, 2372-2377.
  89. Twist localisation in Single, Double and Triple Twisted Mobius cyclacenes, S. Martên-Santamarêa and H S. Rzepa, J. Chem. Soc., Perkin Transactions 2, 2000, 2378-2381.
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    2001 Publications.
  90. JChemTidy: A Tool for Converting Chemical Web Document Collections to an XHTML Representation. G. V. Gkoutos, P. Kenway and H. S. Rzepa, J. Chem. Inf. Comp. Sci., 2001, 41, 253-258 DOI.
  91. A robot-based resource discovery tool for adding chemical meta-information and value to web-based documents, G. V. Gkoutos, P. R. Kenway and H. S. Rzepa, New. J. Chem., 2001, 635-638.
  92. Development of Chemical Markup Language (CML) as a System for Handling Complex Chemical Content, Peter Murray-Rust, H. S. Rzepa and Michael Wright, New J. Chem., 2001, 618-634. DOI: 10.1039/b008780g
  93. A Resource for Transforming HTML and Molfile Documents to XML Compliant Form, G. V. Gkoutos, P. R. Kenway, P. Murray-Rust, H.S. Rzepa and M. Wright, Internet J. Chem., 2001, 4, Article 5.
  94. Chemical Markup, XML and the World-Wide Web. Part II: Information Objects and the CMLDOM. P. Murray-Rust and H. S. Rzepa, J. Chem. Inf. Comp. Sci., 2001, 1113. (DOI, supporting information)
  95. Chemical Markup, XML and the World-Wide Web. Part III: Towards a signed semantic Chemical Web of Trust, G. Gkoutos, P. Murray-Rust, H. S. Rzepa and M. Wright, J. Chem. Inf. Comp. Sci., 2001, 1124. (DOI), supporting information)
  96. A New Publishing Paradigm: STM Articles as part of the Semantic Web, H. S. Rzepa and P. Murray-Rust, Learned Publishing, 2001, 14, 177.
  97. The Mechanism and Design of Asymmetric Co-Arctate Br+ Atom Transfers Between Alkenes. A Computational Study, F. Hern‡ndez Blanco, D. C. Braddock, S. Mart'n-Santamar'a, and H. S. Rzepa, Internet J. Chem.,, 2001, 4, article 10.
  98. The Application of XML Languages for Integrating Molecular Resources, G. V. Gkoutos, P. Murray-Rust, H. S. Rzepa, and M. Wright, Internet J. Chemistry, 2001, article 13.
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    2002 Publications.
  99. ChemDig: New approaches to Chemically Significant Indexing and Searching of Distributed Web Collections, G. V. Gkoutos, C. Leach and H. S. Rzepa, New. J. Chem., 2002, 656-666.
  100. A Computational Study of the Mechanism of Palladium Insertion into Alkynyl and Aryl Carbon-Fluorine bonds, M. Jakt, L. Johannissen, H. S. Rzepa, D. A. Widdowson and R. Wilhelm, Perkin Trans. 2, 2002, 576-581.
  101. The Aromaticity and Mobius Characteristics of Carbeno[8]heteroannulenes and Triplet State Annulenes, C. J. Kastrup, S. Oldfield and H. S. Rzepa, ChemComm., 2002, 642-643.
  102. Scientific publications in XML - towards a global knowledge base, P. Murray-Rust and H. S. Rzepa, Data Science, 2002, 1, 84-98.
  103. Mobius Aromatic Forms of 8-p Electron Heteropines, W. L. Karney, C. J. Kastrup, S. P. Oldfield and H. S. Rzepa, J. Chem. Soc., Perkin Trans 2, 2002, 388-392.
  104. Diastereoselective Reactions in Glycine Templates containing an ent-Ardeemin Fragment, S. Martin-Santamaria, R. Corzo-Suarez, C. Avendano, M. Espada, F. Gago, S. Garcia-Granda and H. S. Rzepa, J. Org. Chem., 2002, 67, 2013-2018.
  105. STMML. A Markup Language for Scientific, Technical and Medical Publishing, P. Murray-Rust and H. S. Rzepa, Data Science, 2002, 1, 1-65.
  106. An Ab initio Computational study of Monodentate Metal ligand Complexes with Mobius-Aromatic Chiral Character, C. J. Kastrup, S. V. Oldfield and H. S. Rzepa, Dalton Trans., 2002, 2421-2422.
  107. Chemistry Preprints, H. S. Rzepa, J. Chem. Inf. Comp. Tech, 2002, 42, 767.
  108. P. Murray-Rust and H. S. Rzepa, "Markup Languages- How to structure chemistry related documents", Chemistry Intl., 2002, 24(4), 9-13.
  109. H. S. Rzepa and K. Taylor, "Mobius and Huckel Spiroaromatic Systems", J. Chem. Soc., Perkin Trans 2, 2002, 1499-1501.
  110. H. S. Rzepa and M. Williamson, "Chemstock: A Web-based Chemical Inventory system built from OpenSource Software Components", Internet J. Chem, 2002, article 6.
  111. P. Murray-Rust, and H. S. Rzepa "Towards the Chemical Semantic Web", Proc. 2002 International Chemical Information Conference, ed H. Collier. (Infonortics) 2002, pp 127-139.
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    2003 Publications.
  112. D. Hall and H. S. Rzepa, "Mobius bis and tris-Spiroaromatic Systems", Org. Biomol. Chem., 2003, 1, 182-185.
  113. P. Murray-Rust and H. S. Rzepa, chapter in "Handbook of Chemoinformatics. Part 2. Advanced Topics.", ed. J. Gasteiger and T. Engel, 2003, Vol 1.
  114. G. V. Gkoutos, H. S. Rzepa P. Murray-Rust, "Online Validation and Comparison of Molfile and CML Molecular Atom-Connection Descriptors", Internet J. Chem.,, 2003, article 1.
  115. P. Murray-Rust and H. S. Rzepa, "Chemical Markup, XML and the Worldwide Web. Part 4. CML Schema", J. Chem. Inf. comp. Sci.,, 2003, 43, 757-772.
  116. G. V. Gkoutos, H. S Rzepa, R. M. Clark, O. Adjei, H. Johal, "Chemical Machine Vision: Automated extraction of chemical meta-data from raster images", J. Chem. Inf. Comp. Sci.,, 2003, 43, 1342-1355
  117. P. Murray-Rust and H. S. Rzepa, "Towards the Chemical Semantic Web. An introduction to RSS ", Internet J. Chem., 2003, 6, article 4.
  118. P. Murray-Rust and H. S. Rzepa, "XML for scientific publishing", OCLC Systems and Services, 2003, 19, 162-169.
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    2004 Publications.
  119. C. R. S. Briggs, D. O'Hagan, H. S. Rzepa and A. M. Z. Slawin, "Solid state and theoretical evaluation of β-fluoroethyl esters indicate a fluorine-ester gauche effect", J. Fluorine Chemistry, 2004, 125, 19-25. DOI: 10.1016/j.jfluchem.2003.08.011
  120. H. S. Rzepa and N. Sanderson, "Aromaticity on the Edge of Chaos: An Ab initio study of the bimodal balance between aromatic and non-aromatic structures for 10-π-Dihetero[8]annulenes", Phys. Chem. Chem. Phys, 2004, 6, 310-313. DOI: 10.1039/b312724a
  121. P. Murray-Rust and H. S. Rzepa, "The Next Big Thing: From Hypermedia to Datuments", J. Digital Inf., 2004, 5, article 248, 2004-03-18.
  122. P. Murray-Rust, H. S. Rzepa, M. J. Williamson and E. L. Willighagen, "Chemical Markup, XML and the Worldwide Web. Part 5. Applications of Chemical Metadata in RSS Aggregators", J. Chem. Inf. Comp. Sci.,, 2004, 44, 462-469. See also supprting information and DOI: 10.1021/ci034244p
  123. K. P. Tellmann, M. J. Humphries, H. S. Rzepa and V. C. Gibson, "An experimental and computational study of β-H transfer between organocobalt complexes and 1-alkenes", Organometallics, 2004, 23, 5503-5513. DOI: 10.1021/om049581h
  124. J. R. Hutchison and H. S. Rzepa, "Foliacenes: Ab initio modelling of metallocomplexes exhibiting a unique form of 16-electron, metal-induced aromaticity", J. Amer. Chem. Soc.,, 2004, 126, 14865-14870; DOI: 10.1021/ja046734j
  125. P. Murray-Rust, H. S. Rzepa, S. M. Tyrrell and Y. Zhang, "Representation and use of Chemistry in the Global Electronic Age", Org. Biomol. Chem., 2004, 2, 3192 to 3203. DOI: 10.1039/B410732B
  126. P. Murray-Rust, H. S. Rzepa and S. Stein, "The INChI as an LSID for molecules in lifescience", W3C Workshop on Semantic Web for Life Sciences, 27-28 October 2004, Cambridge, Massachusetts USA.
  127. P. Murray-Rust, H. S. Rzepa, "Towards a semantic web for chemistry in lifescience", W3C Workshop on Semantic Web for Life Sciences, 27-28 October 2004, Cambridge, Massachusetts USA.
  128. P. Murray-Rust, H. S. Rzepa and Y. Zhang, "Googling for INChIs; A remarkable method of chemical searching", W3C Workshop on Semantic Web for Life Sciences, 27-28 October 2004, Cambridge, Massachusetts USA.
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    2005 Publications.
  129. G. A. Asseily, R. P. Davies, H. S. Rzepa, A. J.P. White, 2004, "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 J. Chem., 2005, 29, 315-319. DOI: 10.1039/b411873a
  130. H. S. Rzepa and N. Sanderson, "Aromaticity on the Edge of Chaos: An Ab initio CCSD(T) study of the bimodal balance between aromatic and non-aromatic structures for 10-π-Diheterocins and Heteronins", Mol. Phys, 2005, 103, 401-406. DOI: 10.1080/00268970512331317796
  131. J. Wakelin, P. Murray-Rust, S. Tyrrell, Y. Zhang, H.S. Rzepa, A Garcia, "CML Tools and Information Flow in Atomic Scale Simulations", Mol. Simulations, 2005, 31, 315-322. DOI: 10.1080/08927020500065850
  132. P. Murray-Rust, H. S. Rzepa, J. J. P. Stewart and Y. Zhang, "A global resource for computational chemistry", J. Mol. Mod., 2005, 11, DOI: 10.1007/s00894-005-0278-1
  133. Gibson, Vernon C.; Marshall, Edward L.; Rzepa, H. S. " A computational study on the ring-opening polymerization of lactide initiated by β-diketiminate metal alkoxides: The origin of heterotactic stereocontrol", J. Am. Chem. Soc., 2005, 127, 6048-6051. DOI: 10.1021/ja043819b
  134. S. J. Coles, N. E. Day, P. Murray-Rust, H. S. Rzepa and Y. Zhang, "Enhancement of the Chemical Semantic Web through INChIfication", Org. Biomol. Chem., 2005, 3, 1832-1834. DOI: 10.1039/b502828k
  135. H. S. Rzepa, " Mobius aromaticity and delocalization", Chem. Rev., 2005, 105, 3697 - 3715. DOI: 10.1021/cr030092l
  136. M. E. Cass, H. S. Rzepa, D. R. Rzepa and C. K. Williams, "The Use of the Free, Open Source Program Jmol to Generate an Interactive Web Site to Teach Molecular Symmetry", J. Chem. Ed., 2005, 1736 and JCE WebWare. DOI: None defined
  137. M. Cass, K. K. (Mimi) Hii and H. S. Rzepa, "Mechanisms that Interchange Axial and Equatorial Atoms in Fluxional processes: Illustration of the Berry Pseudorotation, the Turnstile and the Lever Mechanisms via animation of transition state normal vibrational modes", J. Chem. Ed (online), 2005, published. DOI: None defined
  138. P. Murray-Rust, John B.O. Mitchell and H. S. Rzepa, "Chemistry in Bioinformatics", BMC Bioinformatics, 2005, 6:141, DOI:10.1186/1471-2105-6-141.
  139. P. Murray-Rust, John B.O. Mitchell and H. S. Rzepa, "Communication and re-use of chemical information in bioscience", BMC Bioinformatics, 2005, 6:180, DOI: 10.1186/1471-2105-6-180
  140. A. T. Balaban, P. v. R. Schleyer and H. S. Rzepa, "Crocker, Not Armit and Robinson, Begat the Six Aromatic Electrons", Chem. Rev.,, 2005, 105, 3436 - 3447. DOI: 10.1021/cr0300946
  141. H. S. Rzepa, "A Double-twist Mobius-aromatic conformation of [14]annulene", Org. Lett., 2005, 7, 637 - 4639. DOI: 10.1021/ol0518333
  142. H. S. Rzepa, "Double-twist Mšbius Aromaticity in a 4n+2 Electron Electrocyclic Reaction", 2005, Chem Comm, 5220-5222. DOI: 10.1039/b510508k
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    2006 Publications.
  143. M. P. Shaver, L. E. N. Allan, H. S. Rzepa and V. C. Gibson, "Direct correlation of metal spin state with reactivity in catalytic polymerisation", Angew. Chemie, 2006, 45, 1241-1244. DOI: 10.1002/anie.200502985
  144. G. L. Holliday, P. Murray-Rust, H. S. Rzepa, "Chemical Markup, XML and the Worldwide Web. Part 6. CMLReact; An XML Vocabulary for Chemical Reactions", J. Chem. Inf. Mod., 2006, 46, 145-157. DOI: 10.1021/ci0502698
  145. R. Guha M. T. Howard, G. R. Hutchison, P. Murray-Rust, H. S. Rzepa, C. Steinbeck, J. Wegner and E. L. Willighagen, "The Blue Obelisk - Interoperability in Chemical Informatics", J. Chem. Inf. Mod., 2006, pp 991-998. DOI: 10.1021/ci050400b
  146. H. S. Rzepa, A. Wheat, and M. J. Williamson, "ChemSem: An Extensible and Scalable RSS-Based Seminar Alerting System for Scientific Collaboration", J. Chem. Inf. Mod., 2006, 46, 985-990. DOI: 10.1021/ci0504115
  147. P. W. Fowler and H. S. Rzepa, "Aromaticity rules for cycles with arbitrary numbers of half-twists", Phys. Chem. Chem. Phys., 2006, 1775-1777. DOI: 10.1039/b601655c
  148. H. S. Rzepa and M. E. Cass, "A Computational Study of the Non dissociative Mechanisms that Interchange Apical and Equatorial Atoms in Square Pyramidal Molecules", Inorg. Chem., 2006, 3958-3963. DOI: 10.1021/ic0519988
  149. P. Murray-Rust and H. S. Rzepa, "XML, Chemical Markup Language (CML) and the Datument", ACS Style Guide, 2006, published.
  150. A. P. Dove, V. C. Gibson, E. L. Marshall, H. S. Rzepa, A. J. P. White and D. J. Williams, "Synthetic, Structural, Mechanistic and Computational Studies on Single-Site β-Diketiminate Tin(II) Initiators for the Polymerization of rac-Lactide", J. Am. Chem. Soc., 2006,128, 9834-9843. DOI: 10.1021/ja061400a
  151. O. Casher and H. S. Rzepa, "SemanticEye: A Semantic Web Application to Rationalise and Enhance Chemical Electronic Publishing", J. Chem. Inf. Mod., 2006, 46, 2396-2411. DOI: 10.1021/ci060139e
  152. A. S. P. Cardoso, M. Manuel B. Marques, N. Srinivasan, S. Prabhakar, A. M. Lobo and H. S. Rzepa, "Studies in sigmatropic rearrangements of N-prenylindole derivatives", 2006, Org. Biomol. Chem., 2006, 4, 3966-3972. DOI: 10.1039/b606457d. ESI: http://www.rsc.org/suppdata/OB/b6/b606457d/b606457d.sht
  153. D. O'Hagan, H. S. Rzepa, M. SchÌler and A. M. Z. Slawin,"The vicinal difluoro motif. The synthesis and conformation of erythro- and threo- diastereoisomers of 1,2-difluorodiphenylethanes, 2,3-difluorosuccinic acids and their derivatives", Beil. J. Org. Chem., 2006, 2:19, DOI: 10.1186/1860-5397-2-19
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    2007 Publications.
  154. H. S. Rzepa, "The aromaticity of Pericyclic reaction transition states", J. Chem. Ed (online), 2007, 1535. Interactive version
  155. S. Kuhn, P. Murray-Rust, R. John Lancashire, H. S. Rzepa, T. Helmusk, E. L. Willighagen, C. Steinbeck, "Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML vocabulary for spectral data", 2007, J. Chem. Inf. Mod., DOI: 10.1021/ci600531a
  156. H. S. Rzepa, "Achieving a Holistic Web in the chemistry curriculum", Ann. Rep. Comp. Chem., 2007, 3, 99-133. DOI: 10.1016/S1574-1400(07)03007-1
  157. M. E. Cass and H. S. Rzepa, "In Search of The Bailar Twist and Ray-Dutt mechanisms that racemize chiral tris-chelates: A computational study of Sc(III), V(III), Co(III), Zn(II) and Ga(III) complexes of a ligand analog of acetylacetonate", Inorg. Chem., 2007, 49, 8024-8031. DOI: 10.1021/ic062473y
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    2008 Publications.
  158. H. S. Rzepa, "Lemniscular Hexaphyrins as examples of aromatic and antiaromatic Double-Twist Möbius Molecules", Org. Lett., 2008, 10, 949-952.DOI: 10.1021/ol703129z
  159. D. C. Braddock and H. S. Rzepa, "Structural Reassignment of Obtusallenes V, VI and VII by GIAO-based Density functional prediction", J. Nat. Prod., 2008, DOI: 10.1021/np0705918
  160. M. E. Cass and H. S. Rzepa, "Visualizing metal tris chelates - Visualizations to examine the structure and symmetry of metal tris chelates: Symmetry operations, chirality, and mechanisms (Bailar Twist and Ray-Dutt) that racemize the Δ and Λ isomers", J. Chem. Ed., 2008, 85, 750-751. Online.
  161. L. M. Ferreira, B. Marques M.Manuea, P. M.C. Glria, H. T. Chaves, P. Franco Joao-Pedro, I. Mourato, T. Antunes Jose-Rafael, H. S. Rzepa, A. M. Lobo, and S. Prabhakar, "Reaction of Aromatic Nitroso Compounds with Chemical Models of Thiamin Active Aldehyde", Tetrahedron, 2008, 64, 7759-7770. DOI: 10.1016/j.tet.2008.06.008
  162. M. M. Sousa, M. J. Melo, A. J. Parola, P. J. T. Morris, H. S. Rzepa and J. S. Seixas de Melo, "A study in Mauve. Unveiling Perkin's Dye in Historic Samples", Chem. E. J., 2008, 14, 8507-8513. DOI: 10.1002/chem.200800718
  163. S. M. Rappaport and H S. Rzepa, "Intrinsically Chiral Aromaticity. Rules Incorporating Linking Number, Twist, and Writhe for Higher-Twist Möbius Annulenes", J. Am. Chem. Soc., 2008, 130,, 7613-7619. DOI: 10.1021/ja710438j
  164. J. Downing, P. Murray-Rust, A. P. Tonge, P. Morgan, H. S. Rzepa, F. Cotterill, N. Day and M. J. Harvey, "SPECTRa : The Deposition and Validation of Primary Chemistry Research Data in Digital Repositories", J. Chem. Inf. Mod., 2008, 48, 1571 - 1581. DOI: 10.1021/ci7004737
  165. H. S. Rzepa, "Linking Number Analysis of a Pentadecanuclear Metallamacrocycle: A Möbius-Craig System Revealed", Inorg. Chem., 2008, 47, 8932-8934. DOI: 10.1021/ic800987f
  166. C. S. M. Allan and H. S. Rzepa, "AIM and ELF Critical point and NICS Magnetic analyses of Möbius-type Aromaticity and Homoaromaticity in Lemniscular Annulenes and Hexaphyrins", J. Org. Chem., 2008, 73, 6615-6622. DOI: 10.1021/jo801022b
  167. C. S. M. Allan and H. S. Rzepa, "Chiral aromaticities. Möbius Homoaromaticity", J. Chem. Theory. Comp., 2008, 4, 1841-1848. DOI: 10.1021/ct8001915
  168. S. De, M. G. B. Drew, H. S. Rzepa and D. Datta, "Linking number analysis of a self-assembled lemniscular Möbius-metallamacrocycle", New J. Chem., 2008, 32, 1831-1834. DOI: 10.1039/b808269n
  169. C. S. M Allan and H. S. Rzepa, "The structure of Polythiocyanogen: A Computational investigation", Dalton Trans., 2008, 6925 - 6932. DOI: 10.1039/b810147g
  170. N. Adams, J. Winter, P. Murray-Rust, H. S. Rzepa, "Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language", J. Chem. Inf. Mod., 2008, 48, 2118-2128. DOI: 10.1021/ci8002123

  171. [1993|1994|1995|1996|1997|1998|1999|2000|2001|2002|2003|2004]2005|2006|2007|2008|2009|2010|2011
    2009 Publications.
  172. H. S. Rzepa, "Wormholes in Chemical Space connecting Torus Knot and Torus Link &pi-electron density topologies", Phys. Chem. Chem. Phys., 2009, 1340-1345. DOI: 10.1039/b810301a
  173. L. F. V. Pinto, P. M. C. Glória, M. J. S. Gomes, H. S. Rzepa, S. Prabhakar, A. M. Lobo. "A Dramatic Effect of Double Bond Configuration in N-Oxy-3-aza Cope Rearrangements - A simple synthesis of functionalised allenes", Tet. Lett., 2009, 50, 3446-3449. DOI: 10.1016/j.tetlet.2009.02.228
  174. H. S. Rzepa, "The Chiro-optical properties of a Lemniscular Octaphyrin", Org. Lett., 2009, 11, 3088-3091. DOI: 10.1021/ol901172g
  175. C. S. Wannere, H. S. Rzepa, B. C. Rinderspacher, A. Paul, H. F. Schaefer III, P. v. R. Schleyer and C. S. M. Allan, "The geometry and electronic topology of higher-order Möbius charged Annulenes", J. Phys. Chem., 2009, DOI: 10.1021/jp902176a
  176. H. S. Rzepa, "The distortivity of π-electrons in conjugated Boron rings.", Phys. Chem. Chem. Phys., 2009, DOI: 10.1039/B911817A
  177. H. S. Rzepa, "The importance of being bonded", Nature Chem., 2009, 1, 510-512. DOI: 10.1038/nchem.373
  178. J. L. Arbour, H. S. Rzepa, A. J. P. White and K. K. Hii, "Metal-Directed Skeletal Diversity in the Cyclization of γ-Allenols", Chem. Commun, 2009, DOI: 10.1039/b913295c
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    2010 Publications.
  179. V. D. B. Bonifácio, C. González-Bello, S. Prabhakar, H. S. Rzepa and A. M. Lobo, "Chiral aziridination of olefins using a chiral sulfinamide as the nitrogen source", 2009, SynLett, 2010, 145-149. DOI: 10.1055/s-0029-1218545
  180. K. Abersfelder, A. J. P. White, H. S. Rzepa, and D. Scheschkewitz, Science, 2010, in press.
  181. H. S. Rzepa, "Racemization of isobornyl chloride via carbocations: a non-classical look at a classic mechanism", J. Chem. Educ., 2010, DOI: 10.1021/ed800058c
  182. J. A. Townsend, J. Downing, M. J. Harvey, P. B. Morgan, P. Murray-Rust, H. S. Rzepa, D. C. Stewart and A. P. Tonge, "SPECTRa-T: Machine-based data extraction and semantic searching of chemistry e-theses", J. Chem. Inf. Mod., 2010, DOI: ci-2009-003688
  183. H. S. Rzepa, Nature Chem., 2010, submitted for publication.
  184. H. S. Rzepa, Angew. Chemie., 2010, submitted for publication.