Manuel Melle Franco

High Performance and Graphics

PUBLICATIONS

(imported from ORCID)

1) Marco, A.B., Gozalvez, C., Olano, M., Sun, X., Atxabal, A., Melle-Franco, M., Hueso, L.E., Mateo-Alonso, A., Bis(triisopropylsilylethynyl)-substituted pyrene-fused tetraazaheptacene: Synthesis and properties, in Physical Chemistry Chemical Physics, Volume 18 Number 17 Pages 11616-11619, journal-article 2016

2) Ortiz, R., Lado, J.L., Melle-Franco, M., Fernandez-Rossier, J., Engineering spin exchange in nonbipartite graphene zigzag edges, in Physical Review B - Condensed Matter and Materials Physics, Volume 94 Number 9, journal-article 2016

3) Ara\u, Grafting of adipic anhydride to carbon nanotubes through a Diels-Alder cycloaddition/oxidation cascade reaction, in Carbon, Volume 98 Pages 421-431, journal-article 2016

4) Antonicelli, G., Gozalvez, C., Atxabal, A., Melle-Franco, M., Hueso, L.E., Mateo-Alonso, A., K-Conjugated Dibenzoazahexacenes, in Organic Letters, Volume 18 Number 18 Pages 4694-4697, journal-article 2016

5) García, R., Melle-Franco, M., Mateo-Alonso, A., A short pyrene-fused pyrazaacene with red to near-infrared photoluminescence, in Chemical Communications, Volume 51 Number 38 Pages 8037-8040, journal-article 2015

6) Marco, A.B., Cortizo-Lacalle, D., Gozalvez, C., Olano, M., Atxabal, A., Sun, X., Melle-Franco, M., Hueso, L.E., Mateo-Alonso, A., An electron-conducting pyrene-fused phenazinothiadiazole, in Chemical Communications, Volume 51 Number 53 Pages 10754-10757, journal-article 2015

7) Cortizo-Lacalle, D., Gozalvez, C., Olano, M., Sun, X., Melle-Franco, M., Hueso, L.E., Mateo-Alonso, A., Bisthiadiazole-Fused Tetraazapentacenequinone: An Air-Stable Solution-Processable n-Type Organic Semiconductor, in Organic Letters, Volume 17 Number 23 Pages 5902-5905, journal-article 2015

8) Dallavalle, M., Calvaresi, M., Bottoni, A., Melle-Franco, M., Zerbetto, F., Graphene can wreak havoc with cell membranes, in ACS Applied Materials and Interfaces, Volume 7 Number 7 Pages 4406-4414, journal-article 2015

9) Gil, A., Melle-Franco, M., Branchadell, V., Calhorda, M.J., How the Intercalation of Phenanthroline Affects the Structure, Energetics, and Bond Properties of DNA Base Pairs: Theoretical Study Applied to Adenine-Thymine and Guanine-Cytosine Tetramers, in Journal of Chemical Theory and Computation, Volume 11 Number 6 Pages 2714-2728, journal-article 2015

10) Melle-Franco, M., Brinkmann, G., Zerbetto, F., Modeling Nanotube Caps: The Relationship between Fullerenes and Caps, in Journal of Physical Chemistry A, Volume 119 Number 51 Pages 12839-12844, journal-article 2015

11) Gusmão, R., Melle-Franco, M., Geraldo, D., Bento, F., Paiva, M.C., Proença, F., Probing the surface of oxidized carbon nanotubes by selective interaction with target molecules, in Electrochemistry Communications, Volume 57 Pages 22-26, journal-article 2015

12) Cunha, E., Proença, M.F., Costa, F., Fernandes, A.J., Ferro, M.A.C., Lopes, P.E., González-Debs, M., Melle-Franco, M., Deepak, F.L., Paiva, M.C., Self-assembled functionalized graphene nanoribbons from carbon nanotubes, in ChemistryOpen, Volume 4 Number 2 Pages 115-119, journal-article 2015

13) Cortizo-Lacalle, D., Pertegás, A., Martínez-Sarti, L., Melle-Franco, M., Bolink, H.J., Mateo-Alonso, A., Twisted hexaazatrianthrylene: Synthesis, optoelectronic properties and near-infrared electroluminescent heterojunctions thereof, in Journal of Materials Chemistry C, Volume 3 Number 35 Pages 9170-9174, journal-article 2015

14) Melle-Franco, M., Uthrene, a radically new molecule?, in Chemical Communications, Volume 51 Number 25 Pages 5387-5390, journal-article 2015

15) Strutynski, K., Gomes, J.A.N.F., Melle-Franco, M., Accuracy of dispersion interactions in semiempirical and molecular mechanics models: The benzene dimer case, in Journal of Physical Chemistry A, Volume 118 Number 40 Pages 9561-9567, journal-article 2014

16) Choudhary, S., Gozalvez, C., Higelin, A., Krossing, I., Melle-Franco, M., Mateo-Alonso, A., Hexaazatrinaphthylenes with different twists, in Chemistry - A European Journal, Volume 20 Number 6 Pages 1525-1528, journal-article 2014

17) Garrido, J., Cagide, F., Melle-Franco, M., Borges, F., Garrido, E.M., Microencapsulation of herbicide MCPA with native ¿-cyclodextrin and its methyl and hydroxypropyl derivatives: An experimental and theoretical investigation, in Journal of Molecular Structure, Volume 1061 Number 1 Pages 76-81, journal-article 2014

18) Garrido, J., Cagide, F., Melle-Franco, M., Borges, F., Garrido, E.M., Microencapsulation of herbicide MCPA with native ß-cyclodextrin and its methyl and hydroxypropyl derivatives: An experimental and theoretical investigation, in Journal of Molecular Structure, Volume 1061 Number 1 Pages 76-81, journal-article 2014

19) More, S., Choudhary, S., Higelin, A., Krossing, I., Melle-Franco, M., Mateo-Alonso, A., Twisted pyrene-fused azaacenes, in Chemical Communications, Volume 50 Number 16 Pages 1976-1979, journal-article 2014

20) Almeida, S., Oliveira, V., Pina, A., Melle-Franco, M., Two high-performance alternatives to ZLIB scientific-data compression, in Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), Volume 8582 LNCS Number PART 4 Pages 623-638, book 2014

21) García, R., More, S., Melle-Franco, M., Mateo-Alonso, A., 11,11,12,12-tetracyano-4,5-pyrenoquinodimethanes: Air-stable push-pull o-quinodimethanes with S2 fluorescence, in Organic Letters, Volume 16 Number 23 Pages 6096-6099, journal-article 2014

22) Araújo, R.F., Silva, C.J.R., Paiva, M.C., Franco, M.M., Proença, M.F., Efficient dispersion of multi-walled carbon nanotubes in aqueous solution by non-covalent interaction with perylene bisimides, in RSC Advances, Volume 3 Number 46 Pages 24535-24542, journal-article 2013

23) Strutynski, K., Melle-Franco, M., Gomes, J.A.N.F., New parameterization scheme of DFT-D for graphitic materials, in Journal of Physical Chemistry A, Volume 117 Number 13 Pages 2844-2853, journal-article 2013

24) Wagner, P., Ivanovskaya, V.V., Melle-Franco, M., Humbert, B., Adjizian, J.-J., Briddon, P.R., Ewels, C.P., Stable hydrogenated graphene edge types: Normal and reconstructed Klein edges, in Physical Review B - Condensed Matter and Materials Physics, Volume 88 Number 9, journal-article 2013

25) Chamberlain, T.W., Pfeiffer, R., Howells, J., Peterlik, H., Kuzmany, H., Kräutler, B., Da Ros, T., Melle-Franco, M., Zerbetto, F., Milic, D., Khlobystov, A.N., Engineering molecular chains in carbon nanotubes, in Nanoscale, Volume 4 Number 23 Pages 7540-7548, journal-article 2012

26) Catheline, A., Ortolani, L., Morandi, V., Melle-Franco, M., Drummond, C., Zakri, C., Pénicaud, A., Solutions of fully exfoliated individual graphene flakes in low boiling point solvents, in Soft Matter, Volume 8 Number 30 Pages 7882-7887, journal-article 2012

27) Höfinger, S., Melle-Franco, M., Gallo, T., Cantelli, A., Calvaresi, M., Gomes, J.A.N.F., Zerbetto, F., A computational analysis of the insertion of carbon nanotubes into cellular membranes, in Biomaterials, Volume 32 Number 29 Pages 7079-7085, journal-article 2011

28) Cioffi, C.T., Palkar, A., Melin, F., Kumbhar, A., Echegoyen, L., Melle-Franco, M., Zerbetto, F., Rahman, G.M.A., Ehli, C., Sgobba, V., Guldi, D.M., Prato, M., A Carbon nano-onion-ferrocene donor-acceptor system: Synthesis, characterization and properties, in Chemistry - A European Journal, Volume 15 Number 17 Pages 4419-4427, journal-article 2009

29) Pfeiffer, R., Kramberger, C., Peterlik, H., Kuzmany, H., Kräutler, B., Melle-Franco, M., Zerbetto, F., FT-Raman characterization of the antipodal bis-adduct of C60 and anthracene, in Physica Status Solidi (B) Basic Research, Volume 246 Number 11-12 Pages 2794-2797, journal-article 2009

30) Chamberlain, T.W., Pfeiffer, R., Peterlik, H., Kuzmany, H., Zerbetto, F., Melle-Franco, M., Staddon, L., Champness, N.R., Briggs, G.A.D., Khlobystov, A.N., Polyarene-functionalized fullerenes in carbon nanotubes: Towards controlled geometry of molecular chains, in Small, Volume 4 Number 12 Pages 2262-2270, journal-article 2008

31) Paolucci, D., Franco, M.M., Iurlo, M., Marcaccio, M., Prato, M., Zerbetto, F., Pénicaud, A., Paolucci, F., Singling out the electrochemistry of individual single-walled carbon nanotubes in solution, in Journal of the American Chemical Society, Volume 130 Number 23 Pages 7393-7399, journal-article 2008

32) Melle-Franco, M., Zerbetto, F., Ejection dynamics of a simple liquid from individual carbon nanotube nozzles, in Nano Letters, Volume 6 Number 5 Pages 969-972, journal-article 2006

33) Bellarosa, L., Bakalis, E., Melle-Franco, M., Zerbetto, F., Interactions in concentric carbon nanotubes: The radius vs the chirality angle contributions, in Nano Letters, Volume 6 Number 9 Pages 1950-1954, journal-article 2006

34) Ehli, C., Aminur Rahman, G.M., Jux, N., Balbinot, D., Guldi, D.M., Paolucci, F., Marcaccio, M., Paolucci, D., Melle-Franco, M., Zerbetto, F., Campidelli, S., Prato, M., Interactions in single wall carbon nanotubes/pyrene/porphyrin nanohybrids, in Journal of the American Chemical Society, Volume 128 Number 34 Pages 11222-11231, journal-article 2006

35) Ruffieux, P., Melle-Franco, M., Gröning, O., Bielmann, M., Zerbetto, F., Gröning, P., Charge-density oscillation on graphite induced by the interference of electron waves, in Physical Review B - Condensed Matter and Materials Physics, Volume 71 Number 15, journal-article 2005

36) Teobaldi, G., Melle-Franco, M., Zerbetto, F., Understanding the cosolvation effect of dendrimers, in Journal of Chemical Theory and Computation, Volume 1 Number 2 Pages 194-200, journal-article 2005

37) Melle-Franco, M., Marcaccio, M., Paolucci, D., Paolucci, F., Georgakilas, V., Guldi, D.M., Prato, M., Zerbetto, F., Cyclic Voltammetry and Bulk Electronic Properties of Soluble Carbon Nanotubes, in Journal of the American Chemical Society, Volume 126 Number 6 Pages 1646-1647, journal-article 2004

38) Pfeiffer, R., Kuzmany, H., Pichler, T., Kataura, H., Achiba, Y., Melle-Franco, M., Zerbetto, F., Electronic and mechanical coupling between guest and host in carbon peapods, in Physical Review B - Condensed Matter and Materials Physics, Volume 69 Number 3 Pages 354041-354047, journal-article 2004

39) Melle-Franco, M., Kuzmany, H., Zerbetto, F., Mechanical interactions in all-carbon peapods, in Journal of Physical Chemistry B, Volume 107 Number 29 Pages 6986-6990, journal-article 2003

40) Melle-Franco, M., Prato, M., Zerbetto, F., Permanent chiral twisting of nonchiral carbon nanotubes, in Journal of Physical Chemistry A, Volume 106 Number 19 Pages 4795-4797, journal-article 2002

41) Georgakilas, V., Pellarini, F., Prato, M., Guldi, D.M., Melle-Franco, M., Zerbetto, F., Supramolecular self-assembled fullerene nanostructures, in Proceedings of the National Academy of Sciences of the United States of America, Volume 99 Number 8 Pages 5075-5080, journal-article 2002

42) Melle-Franco, M., Pacchioni, G., Chadwick, A.V., Cluster and periodic ab initio calculations on the adsorption of CO2 on the SnO2(1 1 0) surface, in Surface Science, Volume 478 Number 1-2 Pages 25-34, journal-article 2001

43) Melle-Franco, M., Pacchioni, G., CO adsorption on SnO2(100): Cluster and periodic ab initio calculations, in Surface Science, Volume 461 Number 1-3 Pages 54-66, journal-article 2000

44) Netshisaulu, T.T., Melle-Franco, M., Chadwick, A.V., Ngoepe, P.E., Studies of disorder in Cd1-xPbxF2 mixed crystals, in Radiation Effects and Defects in Solids, Volume 149 Number 1 -4 pt 1 Pages 243-248, journal-article 1999