Publications

86. Exciton Spatial Dynamics and Self-trapping in Carbon Nanocages. Beatriz Rodriguez-Hernandez, Tammie Nelson, Nicolas Oldani, Aliezer Martinez-Mesa, Llinersy Uranga-Pina, Yasutomo Segawa, Tretiak Tretiak, Kenichiro Itami, and Sebastian Fernandez-Alberti. J. Phys. Chem. Lett (in press) (2020).

85. Experimental and Theoretical Study of Energy Transfer in a Chromophore Triad: What Makes Modeling Dynamics Successful? Victor Freixas, Tammie Nelson, Dianelys Ondarse-Álvarez, Parmeet Nijjar, Alexander Mikhailovsky, Cheng Zhou, Sebastian Fernandez-Alberti, Guillermo C. Bazan, and Sergei Tretiak. J. Phys. Chem. Lett (in press) (2020).

84. Photoexcitation Dynamics in Perylene Diimide Dimers. Aliya Mukazhanova, Walter Malone, Hassiel Negrin-Yuvero, Sebastian Fernandez-Alberti, Sergei Tretiak, Sahar Sharifzadeh. J. Chem. Phys. (in press) (2020).

83. Unraveling the Quantum Dynamics Origin of High Photocatalytic Activity in Nitrogen-Doped Anatase TiO2: Time-Domain ab Initio Analysis. Yating Yang, Zhaosheng Zhang, Wei-Hai Fang, S. Fernandez-Alberti, and Run Long. J. Mater. Chem. A (in press) (2020).
Abstract

82. RepeatsDB in 2021: improved data and extended classification for protein tandem repeat structures. L. Paladin, M. Bevilacqua, S. Errigo, D. Piovesan, I. Mičetić, M. Necci, A. Monzon, M. Laura Fabre, J. L. Lopez, J. Nilsson, J. Rios, P. Lorenzano Menna, M. Cabrera, M. Gonzalez Buitron, M. Gonçalves Kulik, S. Fernandez-Alberti, M. Silvina, G. Parisi, A. Lagares, L. Hirsh, M. Andrade-Navarro, A. Kajava, and S. Tosatto. Nucleic Acids Res. Gkaa1097, (2020).
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81. Photoinduced dynamics with constrained vibrational motion: FrozeNM algorithm. H. Negrin-Yuvero, V. M. Freixas, B. Rodriguez-Hernandez, G. Rojas-Lorenzo, S. Tretiak, A. Bastida and S. Fernandez-Alberti. J. Chem. Theory Comput. 16, 12, 7289-7298 (2020).

80. Intermolecular conical intersections in molecular aggregates. Antonietta De Sio, Ephraim Sommer, Xuan Trung Nguyen, Lynn Groß, Duško Popović, Ben Tyler Nebgen, Sebastian Fernandez-Alberti, Stefano Pittalis, Carlo Andrea Rozzi, Elisa Molinari, Elena Mena-Osteritz, Peter Bäuerle, Thomas Frauenheim, Sergei Tretiak, and Christoph Lienau. Nature Nanotechnology (in press) (2020).
Abstract

79. Unraveling Direct and Indirect Energy Transfer Pathways in a Light-Harvesting Dendrimer. M. Aguilera, A. E. Roitberg, V. Kleiman, S. Fernandez-Alberti, and J. Galindo. J. Phys. Chem. C, 124, 41, 22383-22391 (2020).

78. Vibrational energy redistribution during donor-acceptor electronic energy transfer: criteria to identify subsets of active normal modes L. Alfonso-Hernandez, S. Athanasopoulos, S. Tretiak, B. Miguel, A. Bastida, and S. Fernandez-Alberti. Phys. Chem. Chem. Phys. ,22, 18454-18466 (2020).

77. NEXMD Software Package for Non-adiabatic Excited State Molecular Dynamics Simulations W. Malone, B. Nebgen, A. White, Y. Zhang, H. Song, J. A. Bjorgaard, A. E. Sifain, B. Rodriguez-Hernandez, V. Manuel Freixas, S. Fernandez-Alberti, A. E. Roitberg, T. R. Nelson, and S. Tretiak. J.Chem. Theory Comput.,16, 9, 5771-5783 (2020).

76. Photoexcited energy relaxation and vibronic couplings in π-conjugated carbon nanorings B. Rodríguez-Hernández, N. Oldani, A. Martínez-Mesa, Ll. Uranga-Piña, S. Tretiak and S. Fernandez-Alberti. Phys. Chem. Chem. Phys., 22, 15321-15332 (2020).

75. Electronic Energy Relaxation in a Photoexcited Fully Fused Edge Sharing Carbon Nanobelt. V. M. Freixas, N. Oldani, R. Franklin-Mergarejo, S. Tretiak and S. Fernandez-Alberti. J. Phys. Chem. Lett., 11, 12, 4711-4719 (2020).

74. Vibronic Quantum Beating between Electronic Excited States in a Heterodimer. V. M. Freixas, S. Tretiak, D. V. Makhov, D. Shalashilin, and S. Fernandez-Alberti. J. Phys. Chem. B, 124(19), 3992-4001 (2020).

73. Exploring conformational space with thermal fluctuations obtained by normal mode analysis. T. E. Saldaño, V. M. Freixas, S. C. E. Tosatto, G. Parisi, and S. Fernandez-Alberti. J. Chem. Inf. Model., 60, 6, 3068-3080 (2020).
Abstract

72. Non-adiabatic Excited State Molecular Dynamics: theory and applications for modeling photophysics in extended molecular materials. T. Nelson, A. White, J. Bjorgaard, A. Sifain, Y. Zhang, B. Nebgen, Benjamin; S. Fernandez-Alberti, D. Mozyrsky, A. Roitberg, Adrian and S. Tretiak. Chem. Rev., 120, 4, 2215-2287 (2020).

71. Fatty acid and retinol-binding protein: Unusual protein conformational and cavity changes dictated by ligand fluctuations. G. Barletta, Franchini, G.,Corsico, B; S. Fernandez-Alberti. J. Chem. Inf. Model. 59(8),3545-3555 (2019).

70. Network analysis of dynamically important residues in protein structures mediating ligand-binding conformational changes. T. E. Saldaño, S. C. E. Tosatto, G. Parisi, and S. Fernandez-Alberti. Eur. Biophys. J., 48, 559-568 (2019).

69. Photoinduced non-adiabatic energy transfer pathways in dendrimer building blocks. V. M. Freixas, D. Ondarse-Alvarez, S. Tretiak, D. V. Makhov, D. V. Shalashilin and S. Fernandez-Alberti. J. Chem. Phys150, 124301 (2019).

68. Let Digons be Bygones: The Fate of Excitons in Curved π‐Systems. D. Ondarse, T. Nelson, J. M. Lupton, S. Tretiak, and S. Fernandez Alberti. J. Phys. Chem. Lett., 9, 7123-7129 (2018).

67. Energy transfer and spatial scrambling of an exciton in a conjugated dendrimer. D. Ondarse Alvarez, Dianelys, N. Oldani, A. Roitberg, V. Kleiman, S. Tretiak, and S. Fernandez-Alberti. Phys. Chem. Chem. Phys., 20, 29648-29660 (2018).

66. Dynamics fingerprints of active conformers of epidermal growth factor receptor kinase. G. P. Barletta, M. Hasenhuer, M. S. Fornasari, G. Parisi, and S. Fernandez-Alberti. J Comput Chem. 39(29):2472-2480 (2018).

65. Modification of Optical Properties and Excited State Dynamics by Linearizing Cyclic Paraphenylene Chromophores. Rodriguez-Hernandez, B., Ondarse-Alvarez, D., Oldani, N., Martinez-Mesa, A. Uranga-Pina, Ll., Tretiak, S., and Fernandez-Alberti, S. J. Phys. Chem. C, 122 (29), pp 16639-16648 (2018).

64. Photoexcited Nonadiabatic Dynamics of Solvated Push-Pull π-Conjugated Oligomers with the NEXMD Software. Sifain, A., Bjorgaard, J., Nelson, T., Nebgen, B., White, A.; Gifford, B., Gao, D., Prezhdo, O., Fernandez-Alberti, S., Roitberg, A., and Tretiak, S. J. Chem. Theory Comput. 14, 3955-3966 (2018).

63. An Ab Initio Multiple Cloning approach for the simulation of photoinduced dynamics in conjugated molecules. V. M. Freixas, S. Fernandez-Alberti, D. V. Makhov, S. Tretiak, and D. Shalashilin. Phys. Chem. Chem. Phys. 20, 17762 - 17772 (2018).

62. Coherent Exciton-Vibrational Dynamics and Energy Transfer in Conjugated Organics. T R. Nelson, D. Ondarse-Alvarez, N. Oldani, B. Rodriguez-Hernandez, L. Alfonso-Hernandez, J. F. Galindo, V. D. Kleiman, S. Fernandez-Alberti, A. E. Roitberg, Sergei Tretiak. Nature Comm. Vol. 9, Article number: 2316, (2018).
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61. Protein fluctuations and cavity changes relationship. G. P. Barletta, and S. Fernandez-Alberti. J. Chem. Theory Comput., 14 (2), pp 998-1008 (2018).

60. Pockets as structural descriptors of EGFR kinase conformations. M. A. Hasenahuer, G. P. Barletta, S. Fernandez-Alberti, G. Parisi, M. S. Fornasari. PLoS ONE 12(12): e0189147. (2017).
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59. Structural and dynamics evidence for scaffold asymmetric flexibility of the human transthyretin tetramer. G. Zanotti, F. Vallese, A. Ferrari, I. Menozzi, T. E. Saldaño, S. Fernandez-Alberti, and R. Berni. PLoS ONE 12(12): e0187716.(2017).
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58. Photoinduced dynamics in cycloparaphenylenes: planarization, electron-phonon coupling, localization and intra-ring migration of the electronic excitation. N. Oldani, S. K. Doorn, S. Tretiak, and S. Fernandez-Alberti. Phys. Chem. Chem. Phys., 19, 30914-30924 (2017).

57. Evaluating the effect of mutations and ligand binding on transthyretin homotetramer dynamics. T. E. Saldaño, G. Zanotti, G. Parisi, and S. Fernandez-Alberti. PLoS ONE, 12(7): e0181019 (2017).
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56. Electronic Delocalization, Vibrational Dynamics and Energy Transfer in Organic Chromophores. T. Nelson, S. Fernandez-Alberti, A. E. Roitberg, and S. Tretiak. J. Phys. Chem. Lett. 8, 3020-3031 (2017).

55.Photoinduced intra- and intermolecular energy transfer in Chlorophyll a Dimer. F. Zheng, S. Fernandez-Alberti, S. Tretiak, and Y. Zhao. J. Phys. Chem. B, 121 (21), 5331–5339.DOI: 10.1021/acs.jpcb.7b02021 (2017).

54. Ab initio quantum direct dynamics simulations of ultrafast photochemistry with Multiconfigurational Ehrenfest approach. D. Makhov, C. Symonds, S. Fernandez-Alberti, and D. Shalashilin. Chem. Phys. 493, 200-218 (2017).

53. Ultrafast Non-Förster Intramolecular Donor-Acceptor Excitation Energy Transfer. S. Athanasopoulos, L. Alfonso Hernandez, D. Beljonne, S. Fernandez-Alberti, S.Tretiak J.Phys. Chem. Lett., 8 (7), 1688-1694 (2017).

52. Phonon Bottleneck and Long-Lived Excited States in π-Conjugated Pyrene Hoop. R. Franklin-Mergarejo, T. Nelson, S. Tretiak, and S. Fernandez-Alberti. Phys. Chem. Chem. Phys., 19, 9478-9484 (2017).

51. Conformational diversity analysis reveals three functional mechanisms in proteins. A. M. Monzon, D. J. Zea, M. S. Fornasari, T. Saldaño, S. Fernandez-Alberti, S. C. Tosatto, and G. Parisi. PLoS Comput Biol., 13(2):e1005398 (2017).
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50. Interference of Interchromophoric Energy Transfer Pathways in π-Conjugated Macrocycles. L. Alfonso Hernández, T. Nelson, M. Gelin, J. Lupton, S. Tretiak, and S. Fernandez-Alberti. J. Phys. Chem. Lett., 7, 4936-4944 (2016).

48. Carbon nanorings with inserted acenes: breaking symmetry in excited state dynamics. R. Franklin-Mergarejo, D. Ondarse Alvarez, S. Tretiak, S. Fernandez-Alberti. Sci Rep., 6:31253 (2016).

47. Nonadiabatic Excited-State Molecular Dynamics: On-the-Fly Reduction of Excited States. T. Nelson, A. Naumov, S. Fernandez-Alberti, and S. Tretiak. Chem. Phys. 481 (2016) 84-90 (2016).

46. Non-Adiabatic Excited State Molecular Dynamics of Phenylene Ethynylene Dendrimer Using Multiconfigurational Ehrenfest Approach. S. Fernandez-Alberti, D. V. Makhov, S. Tretiak, and D. Shalashilin. Phys. Chem. Chem. Phys. 18, 10028-10040 (2016).

45. Evolutionary Conserved Positions Define Protein Conformational Diversity. Tadeo E. Saldaño, A. Monzon, G. Parisi, and S. Fernandez-Alberti. PLOS Comput. Biol. 12(3): e1004775. (2016).
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44. Internal Conversion and Vibrational Energy Redistribution in Chlorophyll A. P. M. Shenai, S. Fernandez-Alberti, W. P. Bricker, S. Tretiak, and Y. Zhao. J. Phys. Chem. B 120(1), 49-58 (2016).

43. Non-radiative relaxation of photoexcited chlorophylls: theoretical and experimental study. W. P. Bricker, P. M. Shenai, A. Ghosh, M. Grace, M. Enriquez, P. H. Lambrev, Z. Liu, H.-S. Tan, C. S. Lo, S. Tretiak, S. Fernandez-Alberti, and Y. Zhao. Sci. Rep. 5, 13625 (2015).

42. Dynamics of energy transfer in a conjugated dendrimer driven by ultrafast localization of excitations. J. F. Galindo, E. Atas, A. Altan, D. G. Kuroda, S. Fernandez-Alberti, S. Tretiak, A. E. Roitberg, and V. D. Kleiman. J. Am. Chem. Soc. 137, 11637-11644 (2015).

41. On the analysis of vibrations associated to conformational selection upon ligand binding in a PDZ domain protein. Grosso M, Kalstein A, Parisi G, Roitberg A, Fernandez-Alberti S. J. Chem. Phys. 142, 245101 (2015)
Abstract (PubMed)

40. Photoexcited Energy Transfer in a Weakly Coupled Dimer. L. Alfonso Hernandez, T. Nelson, S. Tretiak, and S. Fernandez-Alberti. J. Phys. Chem. B, 119(24), 7242-7252 (2015).

39. Computational Study of Photoexcited Dynamics in Bichromophoric Cross-shaped Oligofluorene. D. Ondarse-Alvarez, N. Oldani, S. Tretiak, and S. Fernandez-Alberti. J. Phys. Chem. A, 118(45), 10742-10753 (2014).

38. Self-Trapping of Excitons, Violation of Condon Approximation, and Efficient Fluorescence in Conjugated Cycloparaphenylenes. L. Adamska, I. Nayyar, H. Chen, A. K. Swan, N. Oldani, S. Fernandez-Alberti, M. R. Golder, R. Jasti, S. K. Doorn, and S. Tretiak. Nano Letters, 14(11), 6539-6546 (2014).

37. Signature of Nonadiabatic Coupling in Excited-State Vibrational Modes. M. Soler, T. Nelson, A. Roitberg, S. Tretiak, and S. Fernandez-Alberti. J. Phys. Chem. A, 118(45), 10372-10379 (2014).

36. Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials. T. Nelson, S. Fernandez-Alberti, A. Roitberg, and S. Tretiak. Accounts of Chemical Research, 47(4), 1155-1164 (2014).

35. Modeling of Internal Conversion in Photoexcited Conjugated Molecular Donor used in Organic Photovoltaics. N. Oldani, S. Tretiak, G. Bazan, and S. Fernandez-Alberti. Energy & Environmental Science 7(3), 1175-1184 (2014).

34. Electronic excited state-specific IR spectra for phenylene ethynylene dendrimer building blocks. J. Galindo, S. Fernandez-Alberti, and A. Roitberg. J. Phys. Chem. C 117, 26517-26528 (2013).

33. Artifacts due to trivial unavoided crossings in the modeling of photoinduced energy transfer dynamics in extended conjugated molecules. T. Nelson, S. Fernandez-Alberti, A. E. Roitberg, and S. Tretiak. Chem. Phys. Lett. 590, 208-213 (2013).

32. Nonadiabatic Excited-State Molecular Dynamics: Treatment of Electronic Decoherence. T. Nelson, S. Fernandez-Alberti, A. E. Roitberg, and S. Tretiak. J. Chem. Phys. 138, 224111 (2013).

31. Conformational Disorder in Energy Transfer: Beyond Forster Theory. T. Nelson, S. Fernandez-Alberti, A.E. Roitberg, and S. Tretiak. Phys. Chem. Chem. Phys. 15, 9245-9256 (2013).

30. Protein conformational diversity modulates sequence divergence. Juritz E, Palopoli N, Fornasari MS, Fernandez Alberti S, Parisi G. Molecular Biology and Evolution. 30(1):, 79-87. 2013. (ISSN 0737-4038).
Abstract (PubMed)

29. Shishiodoshi unidirectional energy transfer mechanism in phenylene ethynylene dendrimers. S. Fernandez-Alberti, A. E. Roitberg, V. D. Kleiman, T. Nelson, and S. Tretiak. J. Chem. Phys. 137, 22A526 (2012).

28. Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules. Sebastian Fernandez-Alberti, Adrian E. Roitberg, Tammie Nelson, and Sergei Tretiak. J. Chem. Phys. 137(1), 014512 (2012).

27. Analysis of state-specific vibrations coupled to the unidirectional energy transfer in conjugated dendrimers.Miguel A. Soler, Adrian E. Roitberg, Tammie Nelson, Sergei Tretiak, and Sebastian Fernandez-Alberti. J. Phys. Chem. A, 116, 9802-9810,(2012).

26. Hybrid Quantum/Classical simulations of the vibrational relaxation of the Amide I mode of N-methylacetamide in D2O solution. A.Bastida, M. A. Soler, J. Zuñiga, A. Requena, A. Kalstein, and S. Fernandez-Alberti. J. Phys. Chem. B, 116, 2969-2980 (2012).

25. Nonadiabatic Excited-State Molecular Dynamics (NA-ESMD). Numerical tests of convergence and parameters. T. Nelson, S. Fernandez-Alberti, V. Chernyak, A. E. Roitberg, and S. Tretiak. J. Chem. Phys., 136, 054108-054120 (2012).

24. Nonadiabatic Excited-State Molecular Dynamics modeling of photoinduced dynamics in conjugated molecules. T. Nelson, S. Fernandez-Alberti, V. Chernyak, A. E. Roitberg, and S. Tretiak. J. Phys. Chem. B, special issue "Mukamel Festschrift", 115, 5402-5414 (2011).

23. PCDB: A database of protein conformational diversity. Juritz E, Fernandez Alberti S, Parisi G. Nucleic Acids Research, 39(Database issue):D475-D479. 2011. (ISSN-L 0305-1048)
Abstract (PubMed) | Full text (PubMed Central)

22. Vibrational dynamics of polyatomic molecules in solution: time evolution, mixing, and assignment of the instantaneous normal modes. A. Kalstein, S. Fernandez-Alberti, A. Bastida, M. A. Soler, M. H. Farag, J. Zuñiga, and A. Requena. Theor. Chem. Acc., 128: 769-782 (2011).

21. Molecular dynamics simulations and instantaneous normal mode analysis of the vibrational relaxation of the C-H stretching modes of N-methylacetamide-D in liquid deuterated water. A. Bastida, M. A. Soler, J. Zuñiga, A. Requena, A. Kalstein, and S. Fernandez-Alberti. J. Phys. Chem. A, 114 (43), 11450-11461 (2010).

20. Unidirectional energy transfer in conjugated molecules: the crucial role of high frequency C(triple)C bonds. S. Fernandez-Alberti, Valeria D. Kleiman, S. Tretiak, and Adrian E. Roitberg. J. Phys. Chem. Lett. 1, 2699-2704. (2010).

19. Instantaneous normal modes, resonances, and decay channels in the vibrational relaxation of the amide I mode of N-methylacetamide-D in liquid deuterated water. A. Bastida, M. A. Soler, J. Zuñiga, A. Requena, A. Kalstein, and S. Fernandez-Alberti. J. Chem. Phys. 132, 224501-224514. (2010).

18. Applications of mixed quantum/classical trajectories to the study of nuclear quantum effects in chemical reactions and vibrational relaxation processes. G. Pierdominici-Sottile, S. Fernandez-Alberti, and J. Palma. Adv. Quant. Chem., vol. 59, Chapter 8, 247-282, Ed. Sylvio Canuto, (2010).

17. G. Rojas-Lorenzo, J. Rubayo-Soneira, S. Fernandez-Alberti. Dynamics of exciplex formation in rare gas media.Chem. Phys, 362, 34-40 (2009).

16. Factors controlling the reactivity of hydrogen sulfide with hemeproteins. R. Pietri, A. Lewis, R. G. Leon, G. Casabona, L. Kiger, S. Yeh, S. Fernandez-Alberti, M. C. Marden, C. L. Cadilla, J. Lopez-Garriga. Biochemistry, 48, 4881-4894 (2009).

15. Nonadiabatic molecular dynamics simulations of the energy transfer between building blocks in a phenylene ethynylene dendrimer. S. Fernandez-Alberti, Valeria D. Kleiman, S. Tretiak, and Adrian E. Roitberg. J. Phys. Chem A, 113, 7535-7542, (2009).

14. Evolutionary conservation of protein vibrational dynamics. S. Maguid, S. Fernandez-Alberti, and J. Echave. Gene, 422 (1-2), 7-13 (2008).

13. Sulfide-binding hemoglobins: Effects of mutations on the active-site flexibility. S. Fernandez-Alberti, D. E. Bacelo, R. C. Binning Jr., J. Echave, M. Chergui, and J. Lopez-Garriga. Biophys. J. 91, 1698-1709 (2006).

12. Evolutionary conservation of protein backbone flexibility. Maguid S, Fernandez-Alberti S, Parisi G and Echave J. Journal of Molecular Evolution, 63(4):448-57. 2006. (ISSN-L 0022-2844)
Abstract (PubMed)

11. Exploring the common dynamics of homologous proteins: Application to the globin fold. S. Maguid, S. Fernandez-Alberti, L. Ferrelli and J. Echave. Biophys. J., 89, 3-13 (2005).

10. Non-adiabatic dynamics of excited Hg (3P1) in Ar matrices. G. Rojas-Lorenzo, J. Rubayo-Soneira, S. Fernandez-Alberti, M. Chergui. J. Phys. Chem. A107 ,8225-8231 (2003).

9. Simulation of the absorption band of the D state of Hg2 in rare gas matrices. C. R. Gonzalez, S. Fernandez-Alberti, J. Echave, J. Helbing and M. Chergui. Chem. Phys. Lett. 367 (5-6), 651-656 (2003).

8. Vibrational coherence and non-adiabatic dynamics in the condensed phase. C. R. Gonzalez, S. Fernandez-Alberti, J. Echave, M. Chergui. J. Chem. Phys., 116, 3343 (2002)

7. Vibrational coherence and solvent-induced non-adiabatic couplings. C. R. Gonzalez, S. Fernandez-Alberti, J. Echave, J. Helbing, M. Chergui. Pag. 270-280, in the book "Femtochemistry and Femtobiology: Ultrafast Dynamics in Molecular Science" of the Femtochemistry V Conference (Toledo, Spain), September 2001, published by World Scientific Publishing Co Douhal A. et Santamaria J. ISBN: 978-981-02-4866-6 (831 pag totales)

6. Mixed quantum/classical dynamics applied to vibrational energy relaxation in rare gas-halogen clusters. B. Miguel, A. Bastida, S. Fernandez Alberti, N. Halberstadt. In Time-dependent Quantum Dynamics, S.C. Althorpe, P. Soldán, and G.G. Balint-Kurti Eds, (Collaborative Computacional Project on Molecular Quantum Dynamics -CCP6-, Daresbury, GB, 2001, pp 5-16. ISBN 0-9522736-7-5 (88 pag. Totales)

5. Caging and Excited State Emission of ICN Trapped in Cryogenic Matrices: Theory and Experiment. J. Helbing, M. Chergui, N. Halberstadt, J. A. Beswick, S. Fernandez-Alberti, J. Echave. Phys. Chem. Chem. Phys. ,2, 4131-4138 (2000).

4. Hybrid Quantum/Classical Study of ICN in an Ar matrix: Photofragmentation and Cage Exit. S. Fernandez Alberti, J. Echave, V. Engel, N. Halberstadt and J.A. Beswick. J. Chem. Phys. 113: (3) 1027-1034 (2000).

3. Intramolecular Vibrational Redistribution and Fragmentation Dynamics of I2Nen (n=2-6) Clusters. S. Fernandez Alberti, N. Halberstadt, J. A. Beswick, A. Bastida, J. Zuñiga and A. Requena J. Chem. Phys.,111, 239-244 (1999).

2. A Theoretical Study of Photofragmentation and Geminate Recombination of ICN in Solid Ar. S. Fernandez Alberti, N. Halberstadt, J. A. Beswick, and J. Echave , J. Chem. Phys., 109, 2844-2850 (1998).

1. Theoretical Study of the Solvatochromism of a Merocyanine Dye. S. Fernandez Alberti and J. Echave. Chem. Phys., 223,183-194 (1997).