RAPOARTE ŞTIINŢIFICE

Gradul de realizare a obiectivelor: total.

  • Raportul ştiinţific - etapa I (2007): LINK
  • Raportul ştiinţific - etapa II (2008): LINK
  • Raportul ştiinţific - etapa III (2009): LINK
  • Sinteza proiectului (2007-2010): LINK

ARTICOLE PUBLICATE

ETAPA I:

  1. Omega and related counting polynomials
    Diudea, M.V., Cigher, S., John, P.E.
    MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY (2008) 60(1): 237-250.
    WEB: LINK articol
  2. Radiation-induced fragmentation of C60 by tight-binding molecular dynamics simulations
    Horvath, L., Beu, T.A.
    Studia Universitatis Babes-Bolyai Physica (2007) 52(2): 35-45
    WEB: LINK articol

ETAPA II:

  1. Tight-binding molecular dynamics simulations of radiation-induced fragmentation of C60
    Horvath, L., Beu, T.A.
    Physical Review B (2008) 77(7): 075102
    DOI: 10.1103/PhysRevB.77.075102
  2. Omega polynomial in twisted ((4,8)3)R tori
    Diudea, M.V.
    MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY (2008) 60(3): 935-944
    WEB: LINK articol
  3. Omega and Theta polynomials in conical nanostructures
    Vizitiu, A.E., Diudea, M.V.
    MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY (2008) 60(3): 927-933
    WEB: LINK articol
  4. Computing PI and Omega polynomials of an infinite family of fullerenes
    Ashrafi, A.R., Jalali, M., Ghorbani, M., Diudea, M.V.
    MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY (2008) 60(3): 905-916
    WEB: LINK articol
  5. Omega polynomial in twisted (4,4) tori
    Diudea, M.V., Vizitiu, A.E., Gholaminezhad, F., Ashrafi, A.R.
    MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY (2008) 60(3): 945-953
    WEB: LINK articol
  6. Basic tessellations in nanostructures
    Diudea, M.V.
    Studia Universitatis Babes-Bolyai Chemia (2008) 53(2): 49-59
    WEB: LINK articol

ETAPA III:

  1. Circulene covered fullerenes
    Diudea, M.V., Vizitiu, A.E., Beu, T., Bende, A., Nagy, C.L., Janežič, D
    Journal of Molecular Structure: THEOCHEM (2009) 904(1-3): 28-34
    DOI: 10.1016/j.theochem.2009.02.024
  2. Omega and Sadhana polynomials of dendrimers designed from tetrapodal graphitic junctions
    Nagy, K., Nagy, L.C., Diudea, M.V.
    MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY (2011) 65(1): 163-172
    WEB: LINK articol
  3. Omega polynomial in puzzle zeolites
    Diudea, M.V., Nagy, K., Nagy, L.C., Ilic, A.
    MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY (2011) 65(1): 143-152
    WEB: LINK articol
  4. Tight-binding molecular dynamics simulations of radiation-induced C60 fragmentation
    Beu, T.A., Horvath, L., Ghisoiu, I.
    Physical Review B (2009) 79(5): 054112
    DOI: 10.1103/PhysRevB.79.054112
  5. Simulations of radiation induced fragmentation of C60 fullerenes
    Beu, T.A.
    Modeling and Simulation of New Materials, Proceedings of Modeling and Simulation of New Materials: Tenth Granada Lectures, AIP Conference Proceedings , Vol. 1091, Editors: Pedro L Garrido, Pablo I. Hurtado, and Joaquín Marro (2009) 249-252
    WEB: LINK articol
  6. Tight-binding molecular dynamics simulations of radiation-induced C60 fragmentation
    Beu, T.A., Horvath, L., Ghisoiu, I.
    Virtual Journal of Nanoscale Science & Technology (2009) 19(10)
    WEB: LINK articol

ETAPA IV:

  1. Omega polynomial in diamond-like dendrimers
    Nagy, K., Nagy, L.C., Diudea, M.V.
    Studia Universitatis Babes-Bolyai Chemia (2010) 55(1): 77-82
    WEB: LINK articol
  2. Omega polynomial in Sucor network
    M. Saheli, M. Neamati, K. Nagy and M. V. Diudea
    Studia Universitatis Babes-Bolyai Chemia (2010) 55(1): 83-90
    WEB: LINK articol
  3. Omega and related polynomials in crystal-like structures
    Diudea, M.V., A. E. Vizitiu, S. Cigher
    MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY (2011) 65(1): 131-142
    LINK articol
  4. CorSu network-a new graphene design
    Diudea, M.V., Ilić, A.
    Studia Universitatis Babes-Bolyai Chemia (2009) 54(4): 171-177
    WEB: LINK articol
  5. Sadhana polynomial in nano-dendrimers
    Diudea, M.V., Vizitiu, A.E., Mirzagar, M., Ashrafi, A.R.
    Carpathian Journal of Mathematics (2010) 26(1): 59-66
    WEB: LINK articol
  6. Cluj and PIv polynomials
    Diudea, M.V., Ilić, A., Ghorbani, M., Ashrafi, A.R.
    Croatica Chemica Acta (2010) 83(3): 283-289
    WEB: LINK articol
  7. Omega and related polynomial in a combined coronene-sumanene covering
    Saheli, M., Neamati, M., Ilić, A., Diudea, M.V.
    Croatica Chemica Acta (2010) 83(4): 395-401
    WEB: LINK articol
  8. Cluj CJ Polynomial and Indices in a dendritic molecular graph
    Diudea, M.V., Dorosti, N., Iranmanesh, A.
    Studia Universitatis Babes-Bolyai Chemia (2010) 55(4): 247-253
    WEB: LINK articol
  9. Molecular dynamics simulations of ion transport through carbon nanotubes. I. Influence of geometry, ion specificity, and many-body interactions
    Beu, T.
    Journal of Chemical Physics (2010) 132(16): 164513
    WEB: LINK articol
  10. Omega polynomial in C84-unit nano-dendrimers
    Diudea, M.V.
    International Journal of Chemical Modeling (2010) 2(2-3): 155-164
    WEB: LINK articol
  11. Omega polynomial in crystal-like single-type face/ring networks
    Diudea, M.V., Ilić, A.
    International Journal of Chemical Modeling (2011) 3(1-2): 1-7
    WEB: LINK articol
  12. Omega Polynomial in All_R[8] Lattices
    Diudea, M.V.
    Iranian Journal of Mathematical Chemistry (2010) 1: 69-77
    WEB: LINK articol
  13. Omega and PIv polynomial in Dyck graph-like Z(8)-unit networks
    Diudea, M.V., Nagy, K., Pop, M.L., Gholami-Nezhaad, F., Ashrafi, A.R.
    International Journal of Nanoscience and Nanotechnology (2010) 6(2): 97-103
    WEB: LINK articol
  14. Counting Polynomials in Tori T(4,4)S[c,n]
    Diudea, M.V.
    Acta Chimica Slovenica (2010) 57(3): 551–558
    WEB: LINK articol
  15. Shell-Polynomials and Cluj-Tehran Index in Tori T(4,4)S[5,n]
    Diudea, M.V., Ashrafi, A.R.
    Acta Chimica Slovenica (2010) 57(3): 559–564
    WEB: LINK articol