caa a22 4500 605487375 CHVBK 20210128100450.0 cr unu---uuuuu 210128e20150901xx s 000 0 eng 10.1007/s00214-015-1708-5 doi (NATIONALLICENCE)springer-10.1007/s00214-015-1708-5 László István Department of Theoretical Physics, Institute of Physics, Budapest University of Technology and Economics, 1521, Budapest, Hungary aut Topological coordinates for bar polyhex carbon structures [Elektronische Daten] [István László] Very often, the basic information about a nanostructure is a topological one. Based on this topological information, we have to determine the Descartes coordinates of the atoms. In the present paper, we review first the previous results obtained by drawing graphs with the help of various matrices as the adjacency matrix, the Laplacian matrix and the Colin de Verdière matrix. We explain why they are applicable if the atoms are on spherical surfaces. We have found recently a matrix $${\mathbf{W}}$$ W which could generate the Descartes coordinates for fullerenes, nanotubes and nanotori and also for nanotube junctions and coils as well. Here will be shown with examples of bar polyhex structures that using the matrix elements of smaller structures, the $${\mathbf{W}}$$ W matrix of larger structures can be generated. Springer-Verlag Berlin Heidelberg, 2015 Drawing nationallicence Eigenvectors nationallicence Embedding nationallicence Graphs nationallicence Molecular structures nationallicence Nanostructures nationallicence Theoretical Chemistry Accounts Springer Berlin Heidelberg 134/9(2015-09-01), 1-7 1432-881X 134:9<1 2015 134 214 https://doi.org/10.1007/s00214-015-1708-5 text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1007/s00214-015-1708-5 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- László István Department of Theoretical Physics, Institute of Physics, Budapest University of Technology and Economics, 1521, Budapest, Hungary aut NATIONALLICENCE 773 0- Theoretical Chemistry Accounts Springer Berlin Heidelberg 134/9(2015-09-01), 1-7 1432-881X 134:9<1 2015 134 214