Browse by research area

  1. Nomenclature of organic polycycles out of the computer - how to escape the jungle of the secondary bridges.

    Rücker, G. & Rücker, C., 30.05.1990, In: Chimia. 44, 5, p. 116-120 4 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  2. Isocodal and isospectral points, edges, and pairs in graphs and how to cope with them in computerized symmetry recognition

    Rücker, G. & Rücker, C., 01.08.1991, In: Journal of Chemical Information and Computer Science. 31, 3, p. 422-427 6 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  3. On using the adjacency matrix power method for perception of symmetry and for isomorphism testing of highly intricate graphs.

    Rücker, C. & Rücker, G., 01.02.1991, In: Journal of Chemical Information and Computer Science. 31, 1, p. 123-126 4 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  4. Understanding the properties of isospectral points and pairs in graphs: The concept of orthogonal relation.

    Rücker, C. & Rücker, G., 09.1992, In: Journal of Mathematical Chemistry. 9, 3, p. 207-238 32 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  5. Counts of all walks as atomic and molecular descriptors.

    Rücker, G. & Rücker, C., 01.09.1993, In: Journal of Chemical Information and Computer Science. 33, 5, p. 683-695 13 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  6. Mathematical relation between extended connectivity and eigenvector coefficients.

    Rücker, C. & Rücker, G., 01.05.1994, In: Journal of Chemical Information and Computer Science. 34, 3, p. 534-538 5 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  7. The Triisopropylsilyl Group in Organic Chemistry: Just a Protective Group, or More?

    Rücker, C., 01.06.1995, In: Chemical Reviews. 95, 4, p. 1009-1064 56 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  8. Carbocyclic cis-[1.1.1]-tris-σ-homobenzenes - Syntheses by triple epoxide → cyclopropane conversions, structural data, [σ2s+σ2s+σ2s] cycloreversions

    Rücker, C., Müller-Bötticher, H., Braschwitz, W-D., Prinzbach, H., Reifenstahl, U. & Irngartinger, H., 01.05.1997, In: Liebigs Annalen - recueil. 1997, 5, p. 967-989 23 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  9. Symmetry-aided computation of the detour matrix and the detour index

    Rücker, G. & Rücker, C., 16.06.1998, In: Journal of Chemical Information and Computer Sciences. 38, 4, p. 710-714 5 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  10. Present knowledge and need for further research

    Kümmerer, K., 01.01.2001, Pharmaceuticals in the Environment. : Sources, Fate, Effects and Risk. . Kümmerer, K. (ed.). Berlin; Heidelberg: Springer, p. 239-245 7 p.

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearchpeer-review

  11. Pharmaceuticals in the Environment — Scope of the Book and Introduction: Pharmaceuticals in the Environment

    Kümmerer, K., 2001, Pharmaceuticals in the Environment : Sources, Fate, Effects and Risks . Kümmerer, K. (ed.). 1 ed. Berlin: Springer, p. 3-11 9 p.

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearch

  12. Chemotaxonomische Ansätze

    Kümmerer, K. & Al-Ahmad, A., 2001, Stress in limnischen Ökosystemen: Neue Ansätze in der ökotoxikologischen Bewertung von Binnengewässern. Steinberg, C. E. W. (ed.). Berlin: Parey Verlag , p. 110-122 12 p.

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearchpeer-review

  13. Belastung von Krankenhausabwasser: Relevanz von Arzneimitteln in der aquatischen Umwelt.

    Kümmerer, K., 01.2001, Umweltschutz in Krankenhausapotheken . Strehl, E., Scherrer, M. & Daschner, F. (eds.). Freiburg: Institut für Umweltmedizin und Krankenhaushygiene, Universitäts-Klinikum Freiburg, p. 61-76 15 p. (IuK-Schriftenreihe; vol. 2001, no. 1).

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearchpeer-review

  14. On Molecular Complexity Indices.

    Nikolić, S., Trinajstić, N., Tolić, I. M., Rücker, G. & Rücker, C., 2003, Complexity in Chemistry: Introduction and fundamentals. Bonchev, D. & Rouvray, D. H. (eds.). London: Routledge Taylor & Francis Group, p. 29-89 51 p. (Mathematical chemistry; vol. 7).

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearchpeer-review

  15. What do we know about Antibiotics in the Environment?

    Kümpel, T., Alexy, R. & Kümmerer, K., 01.01.2001, Pharmaceuticals in the Environment : Sources, Fate, Effects and Risks . Kümmerer, K. (ed.). 1 ed. Berlin; Heidelberg: Springer, p. 67-76 10 p.

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearchpeer-review

  16. Antimikrobielle Stoffe in der Umwelt und ihre Wirkung auf Bakterien – welches sind die richtigen Tests ?

    Kümmerer, K., Alexy, R., Unger, J. & Wiethan, J., 2002, Pharmaka und Hormone in der aquatischen Umwelt - eine Bedrohung ? . Metzger, J. W. (ed.). München: Oldenbourg Wissenschaftsverlag GmbH, p. 127-136 9 p. (Stuttgarter Berichte zur Siedlungswasserwirtschaft; no. 168).

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearchpeer-review

  17. Conclusion

    Kümmerer, K., 2004, Pharmaceuticals in the Environment: Sources, Fate, Effects and Risks. Kümmerer, K. (ed.). 2 ed. Berlin: Springer, p. 499-503 5 p.

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearchpeer-review

  18. Using (Quantitative) Structure-Activity Relationships in Pharmaceutical Risk Assessment

    Kümmerer, K., 01.01.2004, Pharmaceuticals in the Environment: Sources, Fate, Effects and Risks. Kümmerer, K. (ed.). 2 ed. Berlin: Springer, p. 387-390 4 p.

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearchpeer-review

  19. Resistance in the Environment

    Kümmerer, K., 01.01.2004, Pharmaceuticals in the Environment : Sources, Fate, Effects and Risks. Kümmerer, K. (ed.). 2 ed. Berlin: Springer, p. 223-231 9 p.

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearchpeer-review

  20. What Do We Know about Antibiotics in the Environment?

    Alexy, R., Schöll, A., Kümpel, T. & Kümmerer, K., 01.01.2004, Pharmaceuticals in the Environment: Sources, Fate, Effects and Risks . Kümmerer, K. (ed.). 2 ed. Berlin: Springer, p. 209-221 13 p.

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearchpeer-review

  21. Emissions from Medical Care Units

    Kümmerer, K., 2004, Pharmaceuticals in the Environment: Sources, Fate, Effects and Risks. Kümmerer, K. (ed.). 2 ed. Berlin: Springer, p. 27-44 18 p.

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearchpeer-review

  22. Algebraic combinatorics in mathematical chemistry. Methods and algorithms. I. Permutation groups and coherent (cellular) algebras.

    Klin, M., Rücker, C., Rücker, G. & Tinhofer, G., 01.10.1999, In: MATCH Communications in mathematical and in computer chemistry. 40, p. 7-138 132 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  23. Overview of Research Needs to Improve the Science Supporting Environmental Stewardship of Human Pharmaceuticals.

    Hutchinson, T., Kümmerer, K., Servos, M. R. & Williams, R. J., 2005, Human Pharmaceuticals : Assessing the Impacts on Aquatic Ecosystem. . Williams, R. T. (ed.). Pensacola, Fla.: Society of Environmental Toxicology and Chemistry, p. 303-311 9 p.

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearchpeer-review

  24. Environmental Fate and Transport of Human Pharmaceuticals

    Kümmerer, K., Ericson, J. F., Hannah, R., Johnson, A. C., Sedlak, D. L. & Weston, J. J., 2005, Human Pharmaceuticals : Assessing the Impacts on Aquatic Ecosystem. . Williams, R. T. (ed.). Pensacola, Fla.: SETAC Press, p. 111-148 37 p.

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearchpeer-review

  25. Vorausschauend Kriterien Nachhaltiger Chemie integrieren: Von Anfang an - rationales Design von Molekülen.

    Kümmerer, K., 2006, Nachhaltige Chemie : Erfahrungen und Perspektiven . Angrick, M., Kümmerer, K. & Meinzer, L. (eds.). Marburg: Metropolis Verlag, p. 129-154 23 p. (Ökologie und Wirtschaftsforschung; vol. 66).

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearchpeer-review

  26. Health care and research facilities

    Kümmerer, K., 2006, Protecting Groundwater for Health : Managing the Quality of Drinking-water Sources. Schmoll, O., Howard, G., Chilton, J. & Chorus, I. (eds.). London: IWA Publishing, p. 341 1 p.

    Research output: Contributions to collected editions/worksContributions to collected editions/anthologiesResearchpeer-review

  27. On topological indices, boiling points, and cycloalkanes

    Rücker, G. & Rücker, C., 15.07.1999, In: Journal of Chemical Information and Computer Sciences. 39, 5, p. 788-802 15 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  28. Walk counts, labyrinthicity, and complexity of acyclic and cyclic graphs and molecules.

    Rücker, G. & Rücker, C., 2000, In: Journal of Chemical Information and Computer Sciences. 40, 1, p. 99-106 8 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  29. Substructure, subgraph, and walk counts as measures of the complexity of graphs and molecules.

    Rücker, G. & Rücker, C., 01.11.2001, In: Journal of Chemical Information and Computer Sciences. 41, 6, p. 1457-1462 6 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  30. Using protochirons for three-dimensional coding of certain chemical structures.

    Balaban, A. T. & Rücker, C., 21.08.2001, In: Journal of Chemical Information and Computer Science. 41, 5, p. 1145-1149 5 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  31. On walks in molecular graphs.

    Gutman, I., Rücker, C. & Rücker, G., 05.04.2001, In: Journal of Chemical Information and Computer Science. 41, 3, p. 739-745 7 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  32. On finding nonisomorphic connected subgraphs and distinct molecular substructures.

    Rücker, G. & Rücker, C., 03.2001, In: Journal of Chemical Information and Computer Science. 41, 2, p. 314-320 7 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  33. Exploring the limits of graph invariant- and spectrum-based discrimination of (sub)structures.

    Rücker, C., Rücker, G. & Meringer, M., 05.2002, In: Journal of Chemical Information and Computer Sciences. 42, 3, p. 640-650 11 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  34. How many organic compounds are graph-theoretically nonplanar?

    Rücker, C. & Meringer, M., 03.2002, In: MATCH Communications in mathematical and in computer chemistry. 45, 45, p. 153-172 20 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  35. UNIMOLIS – A Computer-aided Course on Molecular Symmetry and Isomerism.

    Rücker, C. & Braun, J., 2003, In: MATCH Communications in mathematical and in computer chemistry. 47, p. 173-174 2 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  36. Simplification in Synthesis.

    Bertz, S. H., Rücker, C., Rücker, G. & Sommer, T. J., 01.12.2003, In: European Journal of Organic Chemistry. 16, 24, p. 4737-4740 4 p.

    Research output: Journal contributionsComments / Debate / ReportsResearch

  37. Walking Backward: Walk Counts of Negative Order.

    Rücker, C. & Rücker, G., 01.07.2003, In: Journal of Chemical Information and Computer Sciences. 43, 4, p. 1115-1120 6 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  38. Molecules in silico: The generation of structural formulae and its applications.

    Kerber, A., Laue, R., Meringer, M. & Rücker, C., 10.09.2004, In: Journal of Computer Chemistry, Japan. 3, 3, p. 85-96 12 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  39. QSPR Using MOLGEN-QSPR: The example of haloalkane boiling points.

    Rücker, C., Meringer, M. & Kerber, A., 11.2004, In: Journal of Chemical Information and Computer Science. 44, 6, p. 2070-2076 7 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  40. Manual construction and mathematics- and computer-aided counting of stereoisomers. The example of oligoinositols

    Rücker, C., Gugisch, R. & Kerber, A., 28.09.2004, In: Journal of Chemical Information and Computer Sciences. 44, 5, p. 1654-1665 12 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  41. In search of simplification: The use of topological complexity indices to guide retrosynthetic analysis.

    Bertz, S. H. & Rücker, C., 05.2004, In: Croatica Chemica Acta. 77, 1-2, p. 221-235 15 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  42. E/Z isomerism without a double bond - An unusual type of stereoisomerism, and an unprecedented isomerisation in a bicyclobutane

    Rücker, C. & Haftstein, G., 05.2004, In: Croatica Chemica Acta. 77, 1-2, p. 237-241 5 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  43. MOLGEN-QSPR, a software package for the study of quantitative structure-property relationships.

    Kerber, A., Laue, R., Meringer, M. & Rücker, C., 04.2004, In: MATCH Communications in mathematical and in computer chemistry. 51, 51, p. 187-204 18 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  44. MOLGEN-CID: a canonizer for molecules and graphs accessible through the internet.

    Braun, J., Gugisch, R., Kerber, A., Laue, R., Meringer, M. & Rücker, C., 01.09.2004, In: Journal of Chemical Information and Computer Science. 44, 2, p. 542-548 7 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  45. Organic Synthesis – Art or Science?

    Rücker, C., Rücker, G. & Bertz, S. H., 03.05.2004, In: Journal of Chemical Information and Computer Sciences. 44, 2, p. 378-386 9 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  46. Molecules in silico: potential versus known organic compounds.

    Kerber, A., Laue, R., Meringer, M. & Rücker, C., 2005, In: MATCH Communications in mathematical and in computer chemistry. 54, 2, p. 301-312 12 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  47. Similarity of molecular descriptors: The equivalence of Zagreb indices and walk counts

    Braun, J., Kerber, A., Meringer, M. & Rücker, C., 2005, In: MATCH Communications in mathematical and in computer chemistry. 54, 1, p. 163-176 14 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  48. QSPR Using MOLGEN-QSPR: The challenge of fluoroalkane boiling points

    Rücker, C., Meringer, M. & Kerber, A., 01.2005, In: Journal of Chemical Information and Modeling. 45, 1, p. 74-80 7 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  49. Published

    Nonylphenol polyethoxylate degradation by means of electrocoagulation and electrochemical Fenton

    Martins, A. F., Wilde, M. L., Vasconcelos, T. G. & Henriques, D. M., 15.06.2006, In: Separation and Purification Technology. 50, 2, p. 249-255 7 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

  50. 2D QSAR of PPARγ agonist binding and transactivation.

    Rücker, C., Scarsi, M. & Meringer, M., 01.08.2006, In: Bioorganic & Medicinal Chemistry. 14, 15, p. 5178-5195 18 p.

    Research output: Journal contributionsJournal articlesResearchpeer-review

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