Source: http://rzepa.net/pubs_93-.html
Timestamp: 2019-04-24 14:22:28+00:00

Document:
H. S. Rzepa. Publications 1993-2010.
H. S. Rzepa. Publications 1993 - 2010.
Computer Network Speak, H. S. Rzepa, Chemistry In Britain , 1993 [1.1] 29, 28.
A Proposal of a Primary MIME Content Type of Chemical, H. S. Rzepa and P. Murray-Rust, 1994, May-November.
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.
Electronic Serendipity: The Gopher and World-Wide-Web Systems and Chemical Information Delivery, H. S. Rzepa, Chemical Design Automation News, 1994, 9 (2), 1.
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.
A Chemical Collaboratory using Explorer EyeChem and the Common Client Interface, O. Casher and H. S. Rzepa, Computer Graphics, 1995, 29, 52.
Chemistry Electronic Conferences, H. S. Rzepa, Trends in Analytical Chemistry, 1995, 14, 240-242.
World-Wide-Web: Chemical Chaos or Global Scientific Enabler, H. S. Rzepa, Lab. Inf. Man. , 1995, 31, 47-52.
The Future of Electronic Journals in Chemistry, H. S. Rzepa, Trends in Analytical Chemistry, 1995, 14, 464.
Chemistry and the World-Wide-Web, H. S. Rzepa, chapter in "The Internet: A Guide for Chemists", Ed. S. Bachrach, American Chemical Society, 1995.
Chemical Publishing on the Internet, B. J. Whitaker and H. S. Rzepa, International Conference on Chemical Information, Nimes, France, October 24, 1995.
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.).
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.
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.
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.
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.
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.
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.
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.
Advanced VRML Based Chemistry Applications: A 3D Molecular Hyperglossary, O. Casher, C. Leach, C. S. Page and H. S. Rzepa, Theochem, 1996, 368, 49.
The CLIC Electronic Chemistry Journal Project", H. S. Rzepa, Ariadne, 1996, Issue 1.
Publishing Chemistry on the Internet, S. M. Bachrach, P. Murray-Rust, H. S. Rzepa, B. J. Whitaker, Network Sci. [Electronic Publication] , (1996), 2(3).
H. S. Rzepa, Science and the Internet: The World-Wide Web, Science Progress , 1996, 79, 97.
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.
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.
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.
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.
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.
"The Chemical MIME Project", H. S. Rzepa, P. Murray-Rust and B. J. Whitaker, Chem. Intl., 1997, 19, 17.
Developing an Undergraduate Chemical IT Course, H. S. Rzepa, The Alchemist , 1997, August issue.
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.
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.
Elemental and Molecular Heritage: An Internet-based Display, H. S. Rzepa, Molecules , 1998, 4, 94.
Internet-based Computational Chemistry Tools, H. S. Rzepa, in Encyclopaedia of Computational Chemistry, Wiley, 1998,1426.
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.
Dubious DNA, H. S. Rzepa, New Scientist , 1998, 58, 65.
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.
The Internet as a medium for Science Communication, H. S. Rzepa, Science Communication , Open University Press, 1998.
W. Locke and H. S. Rzepa in Exploring Materials, Science Museum, 1998, ISBN 1-900747-11-1.
The Internet as a Computational Chemistry Tool, H. S. Rzepa, J. Mol. Struct (Theochem) , 1999, 463, 217.
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.
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.
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.
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.
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.
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.
Hierarchical display of Chemical Data in Web Browsers, Georgios V. Gkoutos, H. S. Rzepa and Michael Wright, Internet J. Chem. , 2000, 3, article 7.
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.
Huckel and Mobius Aromaticity and Trimerous transition state behaviour in the Pericyclic Reactions of , ,  and  Annulenes. Sonsoles Martên-Santamarêa, Balasundaram Lavan and H. S. Rzepa, J. Chem. Soc., Perkin Trans 2 , 2000, 1415.
Mobius Aromatics arising from a C=C=C ring component. Martên-Santamarêa, and H. S. Rzepa, ChemComm., 2000, 1089.
Double Aromaticity and Anti-aromaticity in Small Carbon Rings. S. Martên-Santamarêa and H. S. Rzepa, ChemComm, 2000, 1503-1504.
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.
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.
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.
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.
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.
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.
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.
A New Publishing Paradigm: STM Articles as part of the Semantic Web, H. S. Rzepa and P. Murray-Rust, Learned Publishing, 2001, 14, 177.
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.
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.
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.
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.
The Aromaticity and Mobius Characteristics of Carbenoheteroannulenes and Triplet State Annulenes, C. J. Kastrup, S. Oldfield and H. S. Rzepa, ChemComm. , 2002, 642-643.
Scientific publications in XML - towards a global knowledge base, P. Murray-Rust and H. S. Rzepa, Data Science , 2002, 1, 84-98.
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.
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.
STMML. A Markup Language for Scientific, Technical and Medical Publishing, P. Murray-Rust and H. S. Rzepa, Data Science , 2002, 1, 1-65.
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.
Chemistry Preprints, H. S. Rzepa, J. Chem. Inf. Comp. Tech , 2002, 42, 767.
P. Murray-Rust and H. S. Rzepa, "Markup Languages- How to structure chemistry related documents", Chemistry Intl., 2002, 24(4), 9-13.
H. S. Rzepa and K. Taylor, "Mobius and Huckel Spiroaromatic Systems", J. Chem. Soc., Perkin Trans 2 , 2002, 1499-1501.
H. S. Rzepa and M. Williamson, "Chemstock: A Web-based Chemical Inventory system built from OpenSource Software Components", Internet J. Chem, 2002, article 6.
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.
D. Hall and H. S. Rzepa, "Mobius bis and tris-Spiroaromatic Systems", Org. Biomol. Chem., 2003, 1, 182-185.
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.
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.
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.
P. Murray-Rust and H. S. Rzepa, "Towards the Chemical Semantic Web. An introduction to RSS ", Internet J. Chem., 2003, 6, article 4.
P. Murray-Rust and H. S. Rzepa, "XML for scientific publishing", OCLC Systems and Services, 2003, 19, 162-169.
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.
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.
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.
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.
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.
P. Murray-Rust and H. S. Rzepa, "XML, Chemical Markup Language (CML) and the Datument", ACS Style Guide, 2006, published.
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.
K. Abersfelder, A. J. P. White, H. S. Rzepa, and D. Scheschkewitz, Science, 2010, in press.
H. S. Rzepa, Nature Chem., 2010, submitted for publication.
H. S. Rzepa, Angew. Chemie., 2010, submitted for publication.

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