Publications
462 results found
Rzepa HS, 2007, Achieving a Holistic Web in the Chemistry Curriculum, ANNUAL REPORTS IN COMPUTATIONAL CHEMISTRY, VOL 3, Editors: Spellmeyer, Wheeler, Publisher: ELSEVIER SCIENCE BV, Pages: 99-133
- Author Web Link
- Cite
- Citations: 1
Allen FH, Bérard PM, Blendermann SC, et al., 2006, The ACS style guide: Effective communication of scientific information, ISBN: 9780841239999
Casher O, Rzepa HS, 2006, SemanticEye: A semantic Web application to rationalize and enhance chemical electronic publishing, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol: 46, Pages: 2396-2411, ISSN: 1549-9596
- Author Web Link
- Cite
- Citations: 20
O'Hagan D, Rzepa HS, Schuler M, et al., 2006, The vicinal difluoro motif:: The synthesis and conformation of <i>erythro</i>- and <i>threo</i>-diastereoisomers of 1,2-difluorodiphenylethanes, 2,3-difluorosuccinic acids and their derivatives, BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY, Vol: 2, ISSN: 1860-5397
- Author Web Link
- Cite
- Citations: 49
Rzepa HS, 2006, Double and higher-twist Mobius-Listing aromaticity, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 232, Pages: 115-115, ISSN: 0065-7727
Allan C, Rzepa HS, Gibson VC, et al., 2006, INOR 352-Computational investigations into the mechanism of Iron diimine catalyzed polymerizations: Examining the catalyst and the role of metal spin state, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 232, ISSN: 0065-7727
Shaver MP, Allan LEN, Rzepa HS, et al., 2006, INOR 556-Correlation between metal spin state and catalytic reactivity: Polymerizations mediated by diimine iron complexes, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 232, ISSN: 0065-7727
Rzepa HS, Allan C, Gibson VC, et al., 2006, INOR 447-Computational studies on Iron diimine complexes: Understanding the role of metal spin state in catalytic polymerization, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 232, ISSN: 0065-7727
Hutchison GR, Helmus T, Kuhn S, et al., 2006, CINF 114-Dynamic indexing of chemical metadata using open tools: Case study of Open Babel, CDK, and the Blue Obelisk, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 232, ISSN: 0065-7727
Casher O, Rzepa HS, 2006, CINF 4-SemanticEye: A semantic Web application to rationalize and enhance chemical electronic publishing, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 232, ISSN: 0065-7727
Dove AP, Gibson VC, Marshall EL, et al., 2006, Synthetic, structural, mechanistic, and computational studies on single-site β-diketiminate tin(II) initiators for the polymerization of <i>rac</i>-lactide, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 128, Pages: 9834-9843, ISSN: 0002-7863
- Author Web Link
- Cite
- Citations: 202
Rzepa HS, Cass ME, 2006, A computational study of the nondissociative mechanisms that interchange apical and equatorial atoms in square pyramidal molecules, INORGANIC CHEMISTRY, Vol: 45, Pages: 3958-3963, ISSN: 0020-1669
- Author Web Link
- Cite
- Citations: 21
Rzepa HS, Wheat A, Williamson MJ, 2006, ChemSem: An extensible and scalable RSS-based seminar alerting system for scientific collaboration, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol: 46, Pages: 985-990, ISSN: 1549-9596
- Author Web Link
- Cite
- Citations: 2
Corbett PT, Murray-Rust P, Day NE, et al., 2006, Chemistry publications in CML, 231st National Meeting of the American-Chemical-Society, Publisher: AMER CHEMICAL SOC, ISSN: 0065-7727
Murray-Rust P, Rzepa HS, Townsend JA, et al., 2006, Computational chemistry in XML, 231st National Meeting of the American-Chemical-Society, Publisher: AMER CHEMICAL SOC, ISSN: 0065-7727
Henderson DA, Collier PN, Pavé G, et al., 2006, Studies on the total synthesis of lactonamycin:: Construction of model ABCD ring systems, JOURNAL OF ORGANIC CHEMISTRY, Vol: 71, Pages: 2434-2444, ISSN: 0022-3263
- Author Web Link
- Cite
- Citations: 41
Rzepa HS, 2006, Moebius Aromaticity and Delocalization, ChemInform, Vol: 37, ISSN: 0931-7597
<jats:title>Abstract</jats:title><jats:p>For Abstract see ChemInform Abstract in Full Text.</jats:p>
Cardoso ASP, Marques MMB, Srinivasan N, et al., 2006, Studies in sigmatropic rearrangements of <i>N</i>-prenylindole derivatives -: a formal enantiomerically pure synthesis of tryprostatin B, ORGANIC & BIOMOLECULAR CHEMISTRY, Vol: 4, Pages: 3966-3972, ISSN: 1477-0520
- Author Web Link
- Cite
- Citations: 27
Fowler PW, Rzepa HS, 2006, Aromaticity rules for cycles with arbitrary numbers of half-twists, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 8, Pages: 1775-1777, ISSN: 1463-9076
- Author Web Link
- Cite
- Citations: 30
Cass M, Hii K K, Rzepa H S, 2006, Mechanisms that interchange axial and equatorial atoms in fluxional processesL Illustration of the Berry Pseudorotation, the Turnstile and the Lever Mechanisms via Animation of Transition State Normal Vibrational Modes, J. Chem. Ed., Vol: 83
Shaver MP, Allan LEN, Rzepa HS, et al., 2006, Correlation of metal spin state with catalytic reactivity:: Polymerizations mediated by α-diimine-iron complexes, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol: 45, Pages: 1241-1244, ISSN: 1433-7851
- Author Web Link
- Cite
- Citations: 94
Guha R, Howard MT, Hutchison GR, et al., 2006, The Blue Obelisk-interoperability in chemical informatics., J Chem Inf Model, Vol: 46, Pages: 991-998, ISSN: 1549-9596
The Blue Obelisk Movement (http://www.blueobelisk.org/) is the name used by a diverse Internet group promoting reusable chemistry via open source software development, consistent and complimentary chemoinformatics research, open data, and open standards. We outline recent examples of cooperation in the Blue Obelisk group: a shared dictionary of algorithms and implementations in chemoinformatics algorithms drawing from our various software projects; a shared repository of chemoinformatics data including elemental properties, atomic radii, isotopes, atom typing rules, and so forth; and Web services for the platform-independent use of chemoinformatics programs.
Holliday GL, Murray-Rust P, Rzepa HS, 2005, Chemical markup, XML, and the world wide web. 6. CMLReact, an XML vocabulary for chemical reactions, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol: 46, Pages: 145-157, ISSN: 1549-9596
- Author Web Link
- Cite
- Citations: 39
Cass ME, Rzepa HS, Rzepa DR, et al., 2005, The use of the free, open-source program Jmol to generate an interactive web site to teach molecular symmetry, JOURNAL OF CHEMICAL EDUCATION, Vol: 82, Pages: 1736-1740, ISSN: 0021-9584
- Author Web Link
- Cite
- Citations: 27
Murray-Rust P, Rzepa HS, Stewart JJP, et al., 2005, A global resource for computational chemistry, JOURNAL OF MOLECULAR MODELING, Vol: 11, Pages: 532-541, ISSN: 1610-2940
- Author Web Link
- Cite
- Citations: 12
Balaban AT, Schleyer PV, Rzepa HS, 2005, Crocker, not Armit and Robinson, Begat the six aromatic electrons, CHEMICAL REVIEWS, Vol: 105, Pages: 3436-3447, ISSN: 0009-2665
- Author Web Link
- Cite
- Citations: 115
Rzepa HS, 2005, Mobius aromaticity and delocalization, CHEMICAL REVIEWS, Vol: 105, Pages: 3697-3715, ISSN: 0009-2665
- Author Web Link
- Cite
- Citations: 270
Gibson VC, O'Reilly RK, Rzepa HS, et al., 2005, Atom transfer vs. catalytic chain transfer polymerization using a-diimine iron catalysts: Influence of metal spin state on mechanism, 230th National Meeting of the American-Chemical-Society, Publisher: AMER CHEMICAL SOC, Pages: U4197-U4197, ISSN: 0065-7727
Day NE, Murray-Rust P, Rzepa HS, et al., 2005, Automatic aggregation of open chemical data, 230th National Meeting of the American-Chemical-Society, Publisher: AMER CHEMICAL SOC, Pages: U1010-U1011, ISSN: 0065-7727
Dove AP, Gibson VC, Hormnirun P, et al., 2005, The syndioselective polymerization of methacrylates using β-diketiminate magnesium initiators, 230th National Meeting of the American-Chemical-Society, Publisher: AMER CHEMICAL SOC, Pages: U2166-U2166, ISSN: 0065-7727
This data is extracted from the Web of Science and reproduced under a licence from Thomson Reuters. You may not copy or re-distribute this data in whole or in part without the written consent of the Science business of Thomson Reuters.