Rodríguez-Velázquez, Juan Alberto; Balaban, Alexandru T. Two new topological indices based on graph adjacency matrix eigenvalues and eigenvectors. (English) Zbl 1414.92227 J. Math. Chem. 57, No. 4, 1053-1074 (2019). MSC: 92E10 05C90 PDFBibTeX XMLCite \textit{J. A. Rodríguez-Velázquez} and \textit{A. T. Balaban}, J. Math. Chem. 57, No. 4, 1053--1074 (2019; Zbl 1414.92227) Full Text: DOI arXiv
Kerber, Adalbert; Laue, Reinhard; Meringer, Markus; Rücker, Christoph; Schymanski, Emma Mathematical chemistry and chemoinformatics. Structure generation, elucidation and quantitative structure. Property relationships. (English) Zbl 1309.92006 Berlin: De Gruyter (ISBN 978-3-11-030007-9/hbk; 978-3-11-025407-5/ebook). xxix, 491 p. (2014). Reviewer: Dieter Erle (Dortmund) MSC: 92-01 92E10 00A06 05C90 05C30 PDFBibTeX XMLCite \textit{A. Kerber} et al., Mathematical chemistry and chemoinformatics. Structure generation, elucidation and quantitative structure. Property relationships. Berlin: De Gruyter (2014; Zbl 1309.92006) Full Text: DOI
Laue, R.; Grüner, Th.; Meringer, M.; Kerber, A. Constrained generation of molecular graphs. (English) Zbl 1092.92051 Fajtlowicz, Siemion (ed.) et al., Graphs and discovery. Proceedings of the DIMACS working group, computer-generated conjectures from graph theoretic and chemical databases, November 12–16, 2001, and DIMACS public event, graph theory day 42, November 10, 2001, Piscataway, NJ, USA. Providence, RI: American Mathematical Society (AMS) (ISBN 0-8218-3761-3/hbk). DIMACS. Series in Discrete Mathematics and Theoretical Computer Science 69, 319-331 (2005). MSC: 92E10 05A15 05C30 68U99 PDFBibTeX XMLCite \textit{R. Laue} et al., DIMACS, Ser. Discrete Math. Theor. Comput. Sci. 69, 319--331 (2005; Zbl 1092.92051)
Kerber, Adalbert; Laue, Reinhard; Meringer, Markus; Rücker, Christoph Molecules in silico: potential versus known organic compounds. (English) Zbl 1081.92047 MATCH Commun. Math. Comput. Chem. 54, No. 2, 301-312 (2005). Reviewer: Ivan Gutman (Kragujevac) MSC: 92E10 05C90 05C30 92E99 PDFBibTeX XMLCite \textit{A. Kerber} et al., MATCH Commun. Math. Comput. Chem. 54, No. 2, 301--312 (2005; Zbl 1081.92047)
Kerber, Adalbert Computeralgebra and the systematic construction of finite unlabeled structures. (English) Zbl 0974.05004 Ganzha, Viktor G. (ed.) et al., Computer algebra in scientific computing. CASC 2000. Proceedings of the 3rd workshop, Samarkand, Uzbekistan, October 5-9, 2000. Berlin: Springer. 249-271 (2000). MSC: 05A15 68W30 90C27 05C90 05E20 92E10 94B05 PDFBibTeX XMLCite \textit{A. Kerber}, in: Computer algebra in scientific computing. CASC 2000. Proceedings of the 3rd workshop, Samarkand, Uzbekistan, October 5--9, 2000. Berlin: Springer. 249--271 (2000; Zbl 0974.05004)
Kerber, Adalbert; Laue, Reinhard; Wieland, Thomas Discrete mathematics for combinatorial chemistry. (English) Zbl 0954.92034 Hansen, Pierre (ed.) et al., Discrete mathematical chemistry. Proceedings of the DIMACS workshop, Rutgers University, New Brunswick, NJ, USA, March 23-24, 1998. Providence, RI: American Mathematical Society (AMS). DIMACS, Ser. Discrete Math. Theor. Comput. Sci. 51, 225-234 (2000). MSC: 92E10 05C90 90C35 94C15 68R10 PDFBibTeX XMLCite \textit{A. Kerber} et al., DIMACS, Ser. Discrete Math. Theor. Comput. Sci. 51, 225--234 (2000; Zbl 0954.92034)
Brinkmann, Gunnar Isomorphism rejection in structure generation programs. (English) Zbl 0963.05126 Hansen, Pierre (ed.) et al., Discrete mathematical chemistry. Proceedings of the DIMACS workshop, Rutgers University, New Brunswick, NJ, USA, March 23-24, 1998. Providence, RI: American Mathematical Society (AMS). DIMACS, Ser. Discrete Math. Theor. Comput. Sci. 51, 25-38 (2000). Reviewer: Tomas Dvořaḱ (Praha) MSC: 05C85 05C90 92E10 PDFBibTeX XMLCite \textit{G. Brinkmann}, DIMACS, Ser. Discrete Math. Theor. Comput. Sci. 51, 25--38 (2000; Zbl 0963.05126)
Kerber, Adalbert; Laue, Reinhard Group actions, double cosets, and homomorphisms: Unifying concepts for the constructive theory of discrete structures. (English) Zbl 0907.05056 Acta Appl. Math. 52, No. 1-3, 63-90 (1998). Reviewer: A.Cossidente (Potenza) MSC: 05E15 05B05 92E10 05E20 05C30 PDFBibTeX XMLCite \textit{A. Kerber} and \textit{R. Laue}, Acta Appl. Math. 52, No. 1--3, 63--90 (1998; Zbl 0907.05056) Full Text: DOI
Grund, R.; Kerber, A.; Laue, R. Construction of discrete structures, especially isomers. (English) Zbl 0848.05060 Discrete Appl. Math. 67, No. 1-3, 115-126 (1996). Reviewer: H.N.V.Temperley (Langport) MSC: 05C90 92E10 PDFBibTeX XMLCite \textit{R. Grund} et al., Discrete Appl. Math. 67, No. 1--3, 115--126 (1996; Zbl 0848.05060) Full Text: DOI
Bangov, Ivan P. Generation of molecular graphs based on flexible utilization of the available structural information. (English) Zbl 0846.05086 Discrete Appl. Math. 67, No. 1-3, 27-49 (1996). MSC: 05C90 92E10 PDFBibTeX XMLCite \textit{I. P. Bangov}, Discrete Appl. Math. 67, No. 1--3, 27--49 (1996; Zbl 0846.05086) Full Text: DOI
Benecke, Ch.; Grund, R.; Hohberger, R.; Kerber, A.; Laue, R.; Wieland, Th. Chemical isomerism, a challenge for algebraic combinatorics and for computer science. (English) Zbl 0879.05066 Cohen, Gérard (ed.) et al., Applied algebra, algebraic algorithms and error-correcting codes. 11th international symposium, AAECC-11, Paris, France, July 17-22, 1995. Proceedings. Berlin: Springer-Verlag. Lect. Notes Comput. Sci. 948, 4-20 (1995). MSC: 05C90 92E10 PDFBibTeX XMLCite \textit{Ch. Benecke} et al., Lect. Notes Comput. Sci. 948, 4--20 (1995; Zbl 0879.05066)
Lukovits, I.; Gutman, I. Edge-decomposition of the Wiener number. (English) Zbl 0812.05060 Match 31, 133-144 (1994). MSC: 05C90 92E10 PDFBibTeX XMLCite \textit{I. Lukovits} and \textit{I. Gutman}, Match 31, 133--144 (1994; Zbl 0812.05060)
Grund, R.; Kerber, A.; Laue, R. MOLGEN - a computer algebra system for the construction of molecular graphs. (MOLGEN, ein Computeralgebra-System für die Konstruktion molekularer Graphen.) (German) Zbl 0770.92025 Match 27, 87-131 (1992). Reviewer: D.Dorninger (Wien) MSC: 92E10 05C90 05E20 PDFBibTeX XMLCite \textit{R. Grund} et al., Match 27, 87--131 (1992; Zbl 0770.92025)