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SCIENTIFIC INTERESTS

 

Shape analysis of carbon nanotube junctions

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 


      

 

 

 

 

 

 

 

A. Graovac, I. László, T. Pisanski

      Shape analysis of carbon nanotube junctions

      MATCH Commun. Math. Comput. Chem . 60, 917-926 (2008)

 

 

  Construction of carbon nanotube junctions

  

   

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 I. László

     Construction of carbon nanotube junctions

     Croat. Chem. Acta 81, 267-272 (2008)

 

 

      I. László

      Geometric and electronic structure of carbon nanotube junctions obtained

      by intersection of cylinders

     Phys. Stat. Sol. (b) 243, 3468  (2006)

 

 

 

 

 

 

 

Topological coordinates for fullerenes nanotubes and tori

 

 

 

 

 

     I. László

      Topological coordinates for nanotubes

      Carbon 42, 983-986 (2004). Reprint (pdf)

 

      I. László

      The electronic structure of non-polyhex carbon nanotubes

       J. Chem. Inf. Comput. Sci. 44, 315-322 (2004). Reprint (pdf)

 

     A. Rassat,  I. László, P. W. Fowler

     Topological rotational strengths as chirality descriptors for fullerenes

     Chemistry: A European Journal 9, 644-651 (2003). Reprint (pdf)

 

     I. László, A. Rassat

     The geometric structure of deformed nanotubes and the topological coordinates

     J. Chem. Inf. Comput. Sci. 43, 519-524 (2003) . Reprint (pdf)

 

 

      I. László, A. Rassat, P. W. Fowler, A. Graovac

      Topological coordinates for toroidal structures

      Chem. Phys. Letters 342, 369-374 (2001). Reprint (pdf )

 

 

 

 

 

 

Formation of C60 fullerenes in molecular dynamics simulations

      

 


 

 

 

 

 

 

     I. László

      Formation of cage-like C60 clusters in molecular dynamics simulations

      Europhysics Letters 44, 741-746 (1998), Reprint (pdf)

 

 

 

 

 

 

 

 

 

 

 

Topologically determined electronic energy levels

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 


 

 

     I. László

       Graph theoretical study of topologically determined electronic energy levels

       Journal of Molecular Structures (THEOCHEM) 501-502, 501-508 (2000). Reprint (pdf)

 

 

     I. László

     Stable electronic energy levels in the presence of off-diagonal disorder

     Int. J. Quantum Chem. 48, 135 (1993).

 

 

     I. László, Cs. Menyes

    Existence of stable electronic energy levels in the presence of vibrational

    and off-diagonal disorder

      Phys. Rev. B44, 7730 (1991).

 

 

    S. Kugler, I. László

     Connection between topology and pi-electron structure in

      amorphous carbon

      Phys. Rev. B39, 3882 (1989).

 

 

 

 

 

 

Geometric and electronic structure of fullerenes

 

 

 

 

 

 

 

 

 

 

 

 


 

 

 

 

 

 

 

 

 

 

. A. Rassat,  I. László, P. W. Fowler

     Topological rotational strengths as chirality descriptors for fullerenes

     Chemistry: A European Journal 9, 644-651 (2003). Reprint (pdf)

 

 I. László A. Rassat

      Toroidal and spherical fullerenes with only pentagonal and heptagonal faces

      Int. J. Quantum Chem. 84, 136-139 (2001). Reprint (tar.gz )

 

. I. László, L. Udvardi

     The electronic transition energies of four alternative C60 molecules

     Int. J. Quantum Chem. 42, 1651 (1992).

 

 

. I. László, L. Udvardi

     A study of the UV spectrum of the truncared icosahedral

      C60 molecule.

       J. Mol. Struct. (THEOCHEM) 183, 271 (1989).

 

 

. I. László, L. Udvardi

     On the geometrical structure and UV spectrum of the truncated

      icosahedral C60 molecule

      Chem. Phys. Letters 136, 418 (1987).