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Daniele Fazzi

Ricercatore a tempo determinato tipo b) (senior)

Dipartimento di Chimica "Giacomo Ciamician"

Settore scientifico disciplinare: CHIM/02 CHIMICA FISICA

Pubblicazioni

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Pubblicazioni antecedenti il 2004

  1. “Impact of Fluoroalkylation on the N-Type Charge Transport of Two Naphthodithiophene Diimide Derivatives”
    G. Ricci, S. Canola, Y. Dasi, D. Fazzi*, F. Negri
    Molecules 2021, 26(14), 4119
    DOI: https://doi.org/10.3390/molecules26144119
    Special Issue Computational Design and Modelling of Organic Materials for Energy Applications

  2. “Understanding the structural and charge transport property relationships for a variety of merocyanine single-crystals: a bottom up computational investigation”
    N. Gildemeister, G. Ricci, L. Boehner, J. M. Neudooerfl, D. Hertel, F. Wuerthner, F. Negri, K. Meerholz and D. Fazzi*
    J. Mater. Chem. C 2021, 9, 10851-10864
    DOI: 10.1039/d1tc01511g

  3. “Time-domain spectroscopy of methane excited by resonant high-energy mid-IR pulses”
    G. Crippa, D. Faccialà, P. Prasannan Geetha, A. Pusala, M. Musheghyan, A. Assion, M. Bonanomi, E. Cinquanta, A. G. Ciriolo, M. Devetta, D. Fazzi, L. Gatto, S. De Silvestri, C. Vozzi, and S. Stagira
    Journal of Physics: Photonics, 2021, 3, 034020,
    DOI: https://doi.org/10.1088/2515-7647/ac0d0e

  4. “Addressing the Elusive Polaronic Nature of Multiple Redox States in a π-Conjugated Ladder-Type Polymer”
    D. Fazzi*, F. Negri
    Adv. Electron. Mater., 2021, 7, 2000786,
    DOI: 10.1002/aelm.202000786

  5. “Impact of the Interfacial Molecular Structure Organization on the Charge Transfer State Formation and Exciton Delocalization in Merocyanine:PC61BM Blends”
    K. Budzinauskas, D. Fazzi, D. Hertel, S. Rüth, J. Schelter, P. Weitkamp, S. Diesing, K. Meerholz,* and P.H.M. van Loosdrecht
    J. Phys. Chem. C, 2020, 124, 21978−21984,
    DOI: https://dx.doi.org/10.1021/acs.jpcc.0c06296.

  6. “Guiding Charge Transport in Semiconducting Carbon Nanotube Networks by Local Optical Switching”
    M. Brohmann, S. Wieland, S. Angstenberger, N. J. Herrmann, J. Lüttgens, D. Fazzi, and Jana Zaumseil
    ACS Appl. Mater. Interfaces, 2020, 12, 25, 28392–28403,
    DOI: https://doi.org/10.1021/acsami.0c05640

  7. “Radical Anion Yield, Stability and Electrical Conductivity of Naphthalene Diimide Copolymers n‑Doped with Tertiary Amines”
    S. B. Schmidt,M. Hönig,Y. Shin, M. Cassinelli, A. Perinot, M. Caironi, X. Jiao, C. R. McNeill, D. Fazzi, T. Biskup and M. Sommer
    ACS Applied Polymer Materials, 2020, 2, 5, 1954–1963,
    DOI: https://doi.org/10.1021/acsapm.0c00151.

  8. “Ground-state electron transfer in all-polymer donor-acceptor heterojunctions”
    K. Xu, H. Sun, T.-P. Ruoko, G. Wang, R. Kroon, N. B. Kolhe, Y. Puttisong, X. Liu, D. Fazzi, K. Shibata, C.-Y. Yang, N. Sun, G. Persson, A. B. Yankovich, E. Olsson, H. Yoshida, W. M. Chen, M.Fahlman, M. Kemerink, S. A. Jenekhe, C. Müller, M. Berggren, S. Fabiano
    Nature Materials, 2020, 19, 738-744,DOI: https://doi.org/10.1038/s41563-020-0618-7.

  9. “Membrane Environment Enables Ultrafast Isomerisation of Amphiphilic Azobenzene”
    G. M. Paternò, E. Colombo, V. Vurro, F. Lodola, S. Cimò, E. Molotokaite, M. Bramini, L. Ganzer, D. Fazzi, C. D’Andrea, F. Benfenati, C. Bertarelli, G. Lanzani
    Advanced Science, 2020, 7, 1903241,
    DOI:https://doi.org/10.1002/advs.201903241.

  10. “Neuronal firing modulation by a membrane-targeted photoswitch”
    M. L. DiFrancesco, F. Lodola, E. Colombo, L. Maragliano, M. Bramini, G. M. Paternò, P. Baldelli, M. Dalla Serra, L. Lunelli, M. Marchioretto, G. Grasselli, S. Cimò, L. Colella, D. Fazzi, C. G. Eleftheriou, D. Shmal, J. F. Maya-Vetencourt, C. Bertarelli, G. Lanzani, F. Benfenati
    Nature Nanotechnology, 2020, 15, 296–306,
    DOI: https://doi.org/10.1038/s41565-019-0632-6.

  11. “Size-selected polyynes synthesised by submerged arc discharge in water”
    S. Peggiani, A. Senis, A. Facibeni, A. Milani, P. Serafini, G. Cerrato, A. Lucotti, M. Tommasini, D. Fazzi, C. Castiglioni, V. Russo, A. Li Bassi, C. S. CasariChem. Phys. Lett., 2020, 740, 137054,
    DOI: https://doi.org/10.1016/j.cplett.2019.137054

  12. “Polarons in π-conjugated ladder-type polymers: a broken symmetry density functional description”
    D. Fazzi*, S. Fabiano, T.-P. Ruoko, K. Meerholz, F. Negri
    J. Mater. Chem. C., 2019, 7, 12876-12885,
    DOI: 10.1039/C9TC03283E

  13. “Microstructural control suppresses thermal activation of electron transport at room temperature in polymer transistors”
    A. Luzio, F. Nübling, J. Martin, D. Fazzi, P Selter, E. Gann, C. R. McNeill, M. Brinkmann, M. Ryan Hansen, N. Stingelin, M. Sommer, M. Caironi
    Nature Communications, 2019, 10, 3365,
    DOI:10.1038/s41467-019-11125-9

  14. “Effect of Backbone Regiochemistry on Conductivity, Charge Density, and Polaron Structure of n-Doped Donor–Acceptor Polymers”
    S. Wang, D. Fazzi*, Y. Puttisong, M. J. Jafari, Z. Chen, T. Ederth, J. W. Andreasen, W. M. Chen, A. Facchetti, and S. Fabiano
    Chem. Mater., 2019, 31, 3395-3406,
    DOI: 10.1021/acs.chemmater.9b00558

  15. “Probing Exciton Delocalization in Organic Semiconductors: Insight from Time-Resolved Electron Paramagnetic Resonance and Magnetophotoselection Experiments”
    D. Meyer, R. Matsidik, D. Fazzi, M. Sommer, T. Biskup
    J. Phys. Chem. Lett., 2018, 9, 7026-7031,
    DOI: 10.1021/acs.jpclett.8b03196

  16. “A Chemically Doped Naphthalenediimide-Bithiazole Polymer for n-Type Organic Thermoelectrics”
    S. Wang, H. Sun, T. Erdmann, G. Wang, D. Fazzi, U. Lappan, Y. Puttisong, Z. Chen M. Berggren , X. Crispin, A. Kiriy , B. Voit, T. J. Marks, S. Fabiano and A. Facchetti
    Adv. Mater., 2018, 30, 1801898,
    DOI: 10.1002/adma.201801898.

  17. “Highly Fluorescent Metal–Organic-Framework Nanocomposites for Photonic Applications”
    A. Monguzzi, M. Ballabio, N. Yanay, N. Kimizuka, D. Fazzi, M. Campione, F. Meinardi
    Nano Lett.,     2018, 18, 528-534,
    DOI: 10.1021/acs.nanolett.7b04536.

  18. “Hot and Cold Charge-Transfer Mechanisms in Organic Photovoltaics: Insights into the Excited States of Donor/Acceptor Interfaces”
    D. Fazzi*, M. Barbatti, W. Thiel
    J. Phys. Chem. Lett., 2017, 8, 4727-4734,
    DOI: 10.1021/acs.jpclett.7b02144.

  19. “Highly planarized naphthalene diimide-bifuran copolymers with unexpected charge transport performance”R. Matsidik, A. Luzio, Ö. Askin, D. Fazzi, A. Sepe, U. Steiner, H. Komber, M. Caironi, and M. Sommer
    Chem. Mater., 2017, 29, 5473-5483,
    DOI: 10.1021/acs.chemmater.6b05313.

  20. “Raman Spectroscopy and Microscopy of Electrochemically and Chemically Doped High-mobility Semiconducting Polymers”C. Francisa, D. Fazzia, S.B. Grimm, F. Paulus, S. Beck, S. Hillebrandt, A. Pucci and J. Zaumseil
    a equal contribution, first authorJ. Mater. Chem. C, 2017, 5, 6176-6184,
    DOI: 10.1039/C7TC01277B

  21. “Photochromic Torsional Switch (PTS): a light-driven actuator for the dynamic tuning of p- conjugation extension”
    J. Maciejewski, A. Sobczuk, A. Claveau, A. G. Nicolai, R. Petraglia, L. Cervini, E. Baudat, P. Mieville, D. Fazzi, C. Corminboeuf, and G. Sforazzini
    Chem. Sci., 2017, 8, 361-365,
    DOI:10.1039/C6SC03196J.

  22. “Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods”
    X. Gao, S. Bai, D. Fazzi, T. Niehaus, M. Barbatti, W. Thiel
    J. Chem. Theo. and Comput. 2017, 13, 515-524,
    DOI: 10.1021/acs.jctc.6b00915

  23. “Polarons in narrow band-gap polymers probed over the entire IR range: a joint experimental and theoretical investigation”
    S. Kahmann, D. Fazzi*, G. Matt, W.Thiel, M.A. Loi*, C. J. Brabec*
    J. Phys. Chem. Lett. 2016, 7, 4438–4444,
    DOI: 10.1021/acs.jpclett.6b02083.
  24. “Thermoelectric Properties of Solution-Processes n-Doped Ladder-Type Conducting Polymers”
    S. Wang, H. Sun, U. Ail, M. Vagin, P. O. Å. Persson, J. W. Andreasen, W. Thiel, M. Berggren, X. Crispin, D. Fazzi*, S. Fabiano*
    Adv. Mater. (Communication), 2016, 28, 10764–10771,
    DOI: 10.1002/adma.201603731.

  25. “The Activation of Carboxylic Acids via Self-Assembly Asymmetric Organocatalysis: A Combined Experimental and Computational Investigation”
    M. R. Monaco, D. Fazzi, N. Tsuji, M. Leutzsch, S. Liao, W. Thiel, and B. List
    J. Am. Chem. Soc., 2016, 138, 14740–14749,
    DOI: 10.1021/jacs.6b09179

  26. “On the Effect of Prevalent Carbazole Homocoupling Defects on the Photovoltaic Performance of PCDTBT:PC71BM Solar Cells”
    F. Lombeck, H. Komber, D Fazzi, D. Nava, J. Kuhlmann, D. Stegerer, K. Strassel, J. Brandt, A. Diaz de Zerio Mendaza, C. Müller, W. Thiel, Ma. Caironi, R. Friend, and M. Sommer
    Adv. Energy Mater., 2016, 6, 1601232,
    DOI: 10.1002/aenm.201601232.

  27. “Unveiling the Role of Hot Charge-Transfer States in Molecular Aggregates via Nonadiabatic Dynamics”
    D. Fazzi*, M. Barbatti, and W. Thiel
    J. Am. Chem. Soc., 2016, 138, 4502-4511,
    DOI: 10.1021/jacs.5b13210.

  28. “First-Principles Study of the Nuclear Dynamics of Doped Conjugated Polymers”J. Yin, Z. Wang, D. Fazzi*, Z. Shen, and C. Soci*
    J. Phys. Chem. C, 2016, 120, 1994–2001,
    DOI: 10.1021/acs.jpcc.5b11764.

  29. “Multi-length-scale relationships between the polymer molecular structure and charge transport: the case of poly-naphthalene diimide bithiophene”
    D. Fazzi* and M. Caironi
    Phys. Chem. Chem. Phys. (Perspective), 2015, 17, 8573-8590,
    DOI: 10.1039/C5CP00523J.

  30. “Modeling ultrafast exciton deactivation in oligothiophenes via nonadiabatic dynamics”
    D. Fazzi*, M. Barbatti, W. Thiel
    Phys. Chem. Chem. Phys., 2015, 17, 7787-7799,
    DOI: 10.1039/c5cp00019j.

  31. “Structural Characterization of Highly Oriented Naphthalene-Diimide-Bithiophene Copolymer Films via Vibrational Spectroscopy”
    E. Giussani, D. Fazzi*, L. Brambilla, M. Sommer, N. Kayunkid, M. Brinkmann, C. Castiglioni
    J. Phys. Chem. B, 2015, 119, 2062–2073,
    DOI: 10.1021/jp511451s.

  32. “C–H Arylation of Unsubstituted Furan and Thiophene with Acceptor Bromides: Access to Donor–Acceptor–Donor-Type Building Blocks for Organic Electronics”
    R. Matsidik, J. Martin, S. Schmidt, J. Obermayer, F. Lombeck, F. Nübling, H. Komber, D. Fazzi, M. Sommer
    J. Org. Chem., 2015, 80, 980–987,
    DOI: 10.1021/jo502432e.

  33. “Atomistic Simulations of P(NDI2OD-T2) Morphologies: From Single Chain to Condensed Phases”
    C. Caddeo, D. Fazzi, M. Caironi, A. Mattoni
    J. Phys. Chem. B, 2014, 118, 12556–12565,
    DOI:10.1021/jp5085789.

  34. “Electron transport in crystalline PCBM-like fullerene derivatives: a comparative computational study”
    J. Idé, D. Fazzi, M. Casalegno, S. Valdo Meille, G. Raos
    J. Mater. Chem. C, 2014, 2, 7313-7325,
    DOI: 10.1039/C4TC00502C.

  35. “Structure–Function Relationships of High-Electron Mobility Naphthalene Diimide Copolymers Prepared Via Direct Arylation”
    A. Luzio, D. Fazzi, F. Nübling, R. Matsidik, A. Straub, H. Komber, E. Giussani, S. E. Watkins, M. Barbatti, W. Thiel, E. Gann, L. Thomsen, C. R. McNeill, M. Caironi, M. Sommer
    Chem. Mater., 2014, 26, 6233–6240,
    DOI: 10.1021/cm503033j.

  36. “π-Conjugation and End Group Effects in Long Cumulenes: Raman Spectroscopy and DFT Calculations”
    M. Tommasini, A. Milani, D. Fazzi, A. Lucotti, C. Castiglioni, J. A. Januszewski, D. Wendinger, R. R. Tykwinski
    J. Phys. Chem. C, 2014, 118, 26415–26425,
    DOI: 10.1021/jp509724d.

  37. “Nature of charge carriers in a high electron mobility naphthalenediimide based semiconducting co-polymer”
    V. D’Innocenzo, A. Luzio, A. Petrozza, D. Fazzi*, M. Caironi
    Adv. Funct. Mater., 2014, 24, 5584–5593,
    DOI: 10.1002/adfm.201400394.

  38. “Mapping Orientational Order of Charge-Probed Domains in a Semiconducting Polymer”
    N. Martino, D. Fazzi, C. Sciascia, A. Luzio, M. Rosa Antognazza, M. Caironi
    ACS Nano, 2014, 8, 5968–5978,
    DOI: 10.1021/nn5011182.

  39. “On the role of aggregation effects in the performance of perylene-diimide based solar cells”
    R. Singh, E. Giussani, M. M. Mrόz, F. Di Fonzo, D. Fazzi, J. Cabanillas-González, L. Oldridge, N. Vaenas, A. G. Kontos, P. Falaras, A. C. Grimsdale, J. Jacob, K. Müllen, P. E. Keivanidis
    Organic Electronics, 2014, 15, 1347–1361,
    DOI: 10.1016/j.orgel.2014.03.044.

  40. “The critical role of interfacial dynamics in the stability of organic photovoltaic devices”
    G. Grancini, M. De Bastiani, N. Martino, D. Fazzi, H.-J. Egelhaaf, T. Sauermann, M. R. Antognazza, G. Lanzani, M. Caironi, L. Franco, A. Petrozza
    Phys. Chem. Chem. Phys., 2014, 16, 8294-8300,
    DOI: 10.1039/C4CP00801D.

  41. “Reversible P3HT/Oxygen Charge Transfer Complex Identification in Thin Films Exposed to Direct Contact with Water”
    S. Bellani, D. Fazzi, P. Bruno, E. Giussani, E. V. Canesi, G. Lanzani, M. R. Antognazza
    J. Phys. Chem. C., 2014, 118, 6291–6299,
    DOI: 10.1021/jp4119309.

  42. “Synthesis, Electronic Structure, and Charge Transport Characteristics of Naphthalenediimide-Based Co-Polymers with Different Oligothiophene Donor Units”
    A. Luzio, D. Fazzi, D. Natali, E. Giussani, K.-J. Baeg, Z. Chen, Y.-Y. Noh, A. Facchetti, M. Caironi
    Adv. Funct. Mater., 2013, 24, 1151–1162,
    DOI: 10.1002/adfm.20130229.

  43. “Ultrafast Energy Transfer in Ultrathin Organic Donor/Acceptor Blend”
    A. R. S. Kandada, G. Grancini, A. Petrozza, S. Perissinotto, D. Fazzi, S. S. K. Raavi, G. Lanzani
    Scientific Reports, 2013, 3, 2073,
    DOI:10.1038/srep02073.

  44. “Measuring internal quantum efficiency to demonstrate hot exciton dissociation”
    G. Grancini, M. Binda, L. Criante, S. Perissinotto, M. Maiuri, D. Fazzi, A. Petrozza, H-J. Egelhaaf, D. Brida, G. Cerullo and G. Lanzani (Reply to Nature Materials paper, ref 46)
    Nature Materials, 2013, 12, 594-595,
    DOI: 10.1038/nmat3693.

  45. “Ultrafast spectroscopy of linear carbon chains: the case of dinaphthylpolyynes”
    D. Fazzi, F. Scotognella, A. Milani, D. Brida, C. Manzoni, E. Cinquanta, M. Devetta, L. Ravagnan, P. Milani, F. Cataldo, L. Luer, R. Wannemacher, J. Cabanillas-Gonzalez, M. Negro, S. Stagira and C. Vozzi
    Phys. Chem. Chem. Phys., 2013, 15, 9384-9391,
    DOI: 10.1039/c3cp50508a.

  46. “Molecular Level Investigation of the Film Structure of a High Electron Mobility Copolymer via Vibrational Spectroscopy”
    E. Giussani, D. Fazzi*, L. Brambilla, M. Caironi, C. Castiglioni
    Macromolecules, 2013, 46, 2658-2670,
    DOI: 10.1021/ma302664s.

  47. “Structure and chain polarization of long polyynes investigated with IR and Raman spectroscopy”
    N. R. Agarwal, A. Lucotti, D. Fazzi, M. Tommasini, C. Castiglioni, W. Chalifoux, R. R Tykwiski
    J. Raman Spectroscopy, 2013, 44, 1398-1410,
    DOI: 10.1002/jrs.4300.

  48. “Polymerization Inhibition by Triplet State Absorption for Nanometer-Scale Lithography”
    B. Harke , W. Dallari, G. Grancini, D. Fazzi, F. Brandi, A. Petrozza, and A. Diaspro
    Adv. Mater., 2013, 13, 904-909,
    DOI: 10.1002/adma.201204141.

  49. “Hot exciton dissociation in polymer solar cells”
    G. Grancini, M. Maiuri, D. Fazzi, A. Petrozza, H-J. Egelhaaf, D. Brida, G. Cerullo and G. Lanzani
    Nature Materials, 2013, 12, 29–33,
    DOI: 10.1038/NMAT3502.

  50. “Tuning the Quinoid versus Biradicaloid Character of Thiophene-Based Hetero-quarter-pheno-quinones by Means of Functional Groups”
    E. V. Canesi, D. Fazzi, L. Colella, C. Bertarelli, C. Castiglioni
    J. Am. Chem. Soc., 2012, 134, 19070–19083,
    DOI: 10.1021/ja3072385.

  51. “Spectroscopic Investigation of Oxygen- and Water-Induced Electron Trapping and Charge Transport Instabilities in n-type Polymer Semiconductors”
    R. Di Pietro, D. Fazzi, T. B. Kehoe, and H. Sirringhaus
    J. Am. Chem. Soc., 2012, 134, 14877–14889,
    DOI: 10.1021/ja304198e.

  52. “Effects of Polymer Packing Structure on Photoinduced Triplet Generation and Dynamics”
    A. Petrozza, D. Fazzi, I. Avilov, D. Beljonne, R. H. Friend, J.S. Kim
    J. Phys. Chem. C, 2012, 116, 11298–11305. DOI: 10.1021/jp2104215.

  53. “Absolute Raman intensity measurements and determination of the vibrational second hyperpolarizability of adamantyl endcapped polyynes”
    A. Lucotti, M. Tommasini, D. Fazzi, M. Del Zoppo, W. A. Chalifoux, R. R. Tykwinski, G. Zerbi
    J. of Raman Spectroscopy, 2012, 43, 1293-1298,
    DOI: 10.1002/jrs.3166.

  54. “Ultrafast Internal Conversion in a Low Band Gap Polymer for Photovoltaics: Experimental and Theoretical Study”
    D. Fazzi*, G. Grancini, M. Maiuri, D. Brida, G. Cerullo and G. Lanzani
    Phys. Chem. Chem. Phys., 2012, 14, 6360 – 6367,
    DOI: 10.1039/C2CP23917E (Ultrafast Chemical-Physics Issue)

  55. “Bent polyynes: ring geometry studied by Raman and IR spectroscopy”
    A.Lucotti, M. Tommasini, W. A. Chalifoux, D. Fazzi, G. Zerbi and R. R. Tykwinski
    J. of Raman Spectroscopy, 2012, 43, 95-101,
    DOI: 10.1002/jrs.2992.

  56. “Quantum-Chemical Insights into the Prediction of Charge Transport Parameters for a Naphthalenetetracarboxydiimide-Based Copolymer with Enhanced Electron Mobility”
    D. Fazzi*, M. Caironi, and C. Castiglioni
    J. Am. Chem. Soc., 2011, 133, 19056–19059 (Communication),
    DOI: 10.1021/ja208824d.

  57. “Optical Modulation of Amplified Emission in a Polyfluorene-Diarylethene Blend”
    S.Perissinotto, M. Garbugli, D. Fazzi, C. Bertarelli, M.Carvelli, A.R. Srimath Kandada, Z. Yue, K.S. Wong, G. Lanzani
    Chem.Phys.Chem., 2011, 12, 3619-3623,
    DOI: 10.1002/cphc.201100480.

  58. “A computational investigation on singlet and triplet exciton couplings in acene molecular crystals”
    C. Quarti, D. Fazzi*, M. Del Zoppo
    Phys. Chem. Chem. Phys., 2011, 13, 18615-18625,
    DOI: 10.1039/C1CP21246J.

  59. "Very Low Degree of Energetic Disorder as the Origin of High Mobility in an n-channel Polymer Semiconductor"
    M. Caironi, M. Bird, D. Fazzi, Z. Chen, R. Di Pietro, C. Newman, A. Facchetti, H. Sirringhaus
    Adv. Funct. Mater., 2011, 21, 3371-3381,
    DOI: 10.1002/adfm.201100592.

  60. “Transient Absorption Imaging of P3HT:PCBM Photovoltaic Blend: Evidence For Interfacial Charge Transfer State”
    G. Grancini, D. Polli, D. Fazzi, J. Cabanillas-Gonzalez, G. Cerullo, and G. Lanzani
    J. Phys. Chem. Lett., 2011, 2, 1099–1105,
    DOI: 10.1021/jz200389b.

  61. "Photogenerated cumulenic structure of adamantyl endcapped linear carbon chains: An experimental and computational investigation based on IR spectroscopy"
    M. M. Yildizhan, D. Fazzi*, A. Milani, L. Brambilla, M. Del Zoppo, W. A. Chalifoux,R. R. Tykwinski, and G Zerbi
    J. Chem. Phys., 2011, 134, 124512,
    DOI:dx.doi.org/10.1063/1.3571451.

  62. "Modulation of the Electronic Structure of Polyconjugated Organic Molecules by Geometry Relaxation: a Discussion Based on Local Raman Parameters"
    C. Castiglioni, A. Milani, D. Fazzi, and F. Negri
    J. Mol. Struc., 2011, 993, 26-37,
    DOI:dx.doi.org/10.1016/j.molstruc.2010.12.021.

  63. “Biradicaloid and Polyenic Character of Quinoidal Oligothiophenes Revealed by the Presence of a Low-Lying Double-Exciton State”
    S. Di Motta, F. Negri, D. Fazzi, C. Castiglioni, and E. V. Canesi
    J. Phys. Chem. Lett., 2010, 1, 3334-3339,
    DOI: 10.1021/jz101400d.

  64. “Biradicaloid Character of Thiophene Based Heterophenoquinones from a Combined Experimental and Theoretical Investigation: the Role of Electron-Phonon Coupling”
    D. Fazzi*, E. V. Canesi, F. Negri, C. Bertarelli, and C. Castiglioni
    Chem. Phys. Chem.    , 2010, 11, 3685-3695,
    DOI: 10.1002/cphc.201000675.

  65. “A density matrix based approach for studying excitons in organic crystals”
    C. Quarti, D. Fazzi, M. Tommasini
    Chemical Physics Letters    , 2010, 496, 284-290,
    DOI:dx.doi.org/10.1016/j.cplett.2010.07.062.

  66. “Enhancing the light driven modulation of the refractive index in organic photochromic materials: A quantum chemical strategy”
    N. Adami, D. Fazzi*, A. Bianco, C. Bertarelli, C. Castiglioni
    Journal of Photochemistry and Photobiology A: Chemistry    , 2010, 214, 61-68,
    DOI: 10.1016/j.jphotochem.2010.06.009

  67. “Toward carbyne: Synthesis and stability of really long polyynes”
    R. R. Tykwinski, W. Chalifoux, S. Eisler, A. Lucotti, M. Tommasini, D. Fazzi, M. Del Zoppo, and G. Zerbi
    Pure Appl. Chem., 2010, 82, 891-904,
    DOI: 10.1351/PAC-CON-09-09-04.

  68. “Resistive Memories Based on Rose Bengal and Related Xanthene Derivatives: Insights from Modeling Charge Transport Properties”
    D. Fazzi*, C. Castiglioni and F. Negri
    Phys. Chem. Chem. Phys.    , 2010, 12, 1600-1609,
    DOI: 10.1039/B920792A.

  69. “Raman spectroscopic characterization of a thiophene based active material for resistive organic nonvolatile memories”
    D. Fazzi*, E. V. Canesi, C. Bertarelli, C. Castiglioni, F. Negri and G. Zerbi
    J. Raman Spectrosc., 2010, 41, 406–413,
    DOI: 10.1002/jrs.2449.

  70. “sp Carbon chain interaction with silver nanoparticles probed by Surface Enhanced Raman Scattering”
    A. Lucotti, C.S. Casari, M. Tommasini, A. Li Bassi, D. Fazzi, V. Russo, M. Del Zoppo, C.Castiglioni, F. Cataldo, C.E. Bottani, G. Zerbi
    Chem. Phys. Lett., 2009, 478, 45-50,
    DOI: 10.1016/j.cplett.2009.06.030.

  71. “Resisitive molecular memories: influence of the molecular parameters on the electrical bistability”
    S. Di. Motta, E. Di Donato, F. Negri, G. Orlandi, D. Fazzi and C. Castiglioni
    J. Am. Chem. Soc., 2009, 131, 6591-6598,
    DOI: 10.1021/ja901101c.

  72. “Evidence For Solution-State Bending of sp-Carbon Chains Based on IR and Raman Spectroscopy: Violation of Mutual Exclusion”
    A. Lucotti, M. Tommasini, D. Fazzi, M. Del Zoppo, W. A. Chalifoux, M. J. Ferguson, G. Zerbi and R. R. Tykwinski
    J. Am. Chem. Soc., 2009, 131, 4239-4244,
    DOI: 10.1021/ja078198b.

  73. “Structure and Electrical Bistability of a New Class of Diphenyl-bithiophenes: A Combined Theoretical and Experimental Study”
    D. Fazzi*, C. Castiglioni. F. Negri, C. Bertarelli, A. Famulari, S. V. Meille, G. Zerbi
    J. Phys. Chem. C., 2008, 112, 18628-18637,
    DOI: 10.1021/jp8063239.

  74. “Low frequency modes in the Raman spectrum of sp-sp2 nanostructured carbon”
    C. S. Casari, A. Li Bassi, A. Baserga, L. Ravagnan, P. Piseri, C. Lenardi, M. Tommasini, A. Milani, D. Fazzi, C. E. Bottani, P. Milani
    Physical Review B., 2008, 77, 195444,
    DOI: 10.1103/PhysRevB.77.195444.

  75. “First Principle Calculations of the Peierls Distorsion in an Infinite Linear Carbon Chain: the contribution of Raman Spctroscopy”
    A. Milani, M. Tommasini, D. Fazzi, C. Castiglioni, M. Del Zoppo and G. Zerbi
    J. Raman Spec., 2008, 39, 164-168,
    DOI: 10.1002/jrs.1850.

  76. “Modeling Phonons of Carbon Nanowires”
    M. Tommasini, A. Milani, D. Fazzi, M. Del Zoppo, C. Castiglioni and G. Zerbi
    Physica E, 2008, 40, 2570-2576.
    DOI: 10.1016/j.physe.2007.07.016.

  77. “Effective hamiltonian for p electrons in linear carbon chains”
    M. Tommasini, D. Fazzi, A. Milani, M. Del Zoppo, C. Castiglioni, G. Zerbi
    Chem. Phys. Lett., 2007, 450, 86-90,
    DOI: 10.1016/j.cplett.2007.10.100.

  78. “Intramolecular Vibrational Force Field for Linear Carbon Chains through an Adaptative Linear Scaling Scheme”
    M. Tommasini, D. Fazzi, A. Milani, M. Del Zoppo, C. Castiglioni and G. Zerbi
    J. Phys. Chem. A, 2007, 111, 11645-11651,
    DOI: 10.1021/jp0757006.

  79. “Long Range Vibrational Interactions in Linear Carbon Chains”
    A. Milani, D. Fazzi, M. Tommasini, M. Del Zoppo, C. Castiglioni and G. Zerbi,
    Research Activities on High Performance Computing Cluster at CILEA     (December 2006).

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