{"id":13,"date":"2010-09-17T11:24:25","date_gmt":"2010-09-17T11:24:25","guid":{"rendered":"http:\/\/carlescurutchet.wordpress.com\/"},"modified":"2026-01-20T13:53:38","modified_gmt":"2026-01-20T11:53:38","slug":"publications","status":"publish","type":"page","link":"https:\/\/www.ub.edu\/cplab\/publications\/","title":{"rendered":"Publications"},"content":{"rendered":"

You can also access Dr. Curutchet’s WoS Researcher ID C-5204-2008<\/a>, SCOPUS Author ID 9737651900<\/a>\u00a0and ORCID 0000-0002-0070-1208<\/a>\u00a0profiles.<\/p>\n

Articles<\/strong><\/p>\n

88.<\/strong> L. G. Teixeira Alves Duarte, I. Lamas, D. B\u00e4uerle, S. Shareef, R. D. Cunha, C. Curutchet, M. Curti and E. Romero, Unraveling Charge-Transfer States and Their Ultrafast Dynamics in Artificial Light-Harvesting Complexes<\/em>,\u00a0ACS Phys. Chem Au 2026<\/strong>, in press<\/a>.<\/a><\/p>\n

87.<\/strong> C. A. Guido, L. Cupellini, B. Mennucci and C. Curutchet, How Dispersion Interactions at the Excited State Can Tune Photochromism of Embedded Chromophores,<\/em>\u00a0J. Am. Chem. Soc. 2026<\/strong>, 148(1), 1847\u22121857<\/a>.<\/a><\/p>\n

86.<\/strong> O. A. Stasyuk, G. George, C. Curutchet, F. Plasser and A. J. Stasyuk, The (Anti)aromatic Properties of Cyclo[n]Carbons: Myth or Reality?<\/em> J. Comput. Chem. 2025<\/strong>, 46(31), e70283<\/a>.<\/a><\/p>\n

85.<\/strong> \u00d6. Erg\u00fcn, A. Bertran-Mostazo, E. Cubero, C. Galdeano and C. Curutchet, Characterization of Ligand Binding in Human Serum Albumin from Atomistic Energy Transfer Simulations<\/em>, Small Methods 2025<\/strong>, 9(12),\u00a0e01820<\/a>.<\/a><\/p>\n

84.<\/strong> O. A. Stasyuk, C. Curutchet and A. J. Stasyuk, Mechanical Strain-Controlled Aromaticity in Cyclo[n]Carbons<\/em>,\u00a0Chem. Eur. J. 2025<\/strong>, 31(45), e01598<\/a>.<\/a><\/p>\n

83.\u00a0<\/strong>D. Gonzalo, L. Cupellini and C. Curutchet, On the breakdown of F\u00f6rster energy transfer theory due to solvent effects: atomistic simulations unveil distance-dependent dielectric screening in calmodulin<\/em>, Chem. Sci. 2025<\/strong>, 16(8), 3693<\/a>\u2013<\/a>3704.<\/a><\/p>\n

82.\u00a0<\/strong>K. Zinovjev and C. Curutchet, Improved Description of Environment and Vibronic Effects with Electrostatically Embedded ML Potentials<\/em>, J. Phys. Chem. Lett. 2025<\/strong>, 16(3), 774\u2013781.<\/a><\/p>\n

81. <\/strong>R. D. Cunha, S. Romero-T\u00e9llez, F. Lipparini, F. J. Luque and C. Curutchet, Extending the MST Model to Large Biomolecular Systems: Parametrization of the ddCOSMO-MST Continuum Solvation Model<\/em>,\u00a0J. Comput. Chem. 2025<\/strong>, 46(2), e70027<\/a>.<\/p>\n

80.\u00a0<\/strong>A. P\u00e9rez-Sanchez, C. Curutchet, A. Gonzalez-Lafont and J. M. Lluch, First-principles simulations of the fluorescence modulation of a COX-2-specific fluorogenic probe upon protein dimerization for cancer discrimination<\/em>, Protein Sci. 2025<\/strong>, 34(1), e70001<\/a>.<\/p>\n

79. <\/strong>A. P. Moyer, T. A. Ramelot, M. Curti, M. A. Eastman, A. Kang, A. K. Bera, R. Tejero, P. J. Salveson, C. Curutchet, E. Romero, G. T. Montelione and D. Baker, Enumerative Discovery of Noncanonical Polypeptide Secondary Structures<\/em>,\u00a0J. Am. Chem. Soc. 2024<\/strong>, 146(37), 25501-25512<\/a>.<\/p>\n

78. <\/strong>B. Ozaydin and C.\u00a0Curutchet, Unraveling the role of thermal fluctuations on the exciton structure of the cryptophyte PC612 and PC645 photosynthetic antenna complexes<\/em>,\u00a0Front. Mol. Biosci. 2023<\/strong>, 10, 1268278.<\/a><\/p>\n

77.\u00a0<\/strong>W. J. Zamora, A. Viayna, S. Pinheiro, C.\u00a0Curutchet, L. Bisbal, R. Ruiz, C. R\u00e0fols and F. J. Luque,\u00a0Prediction of toluene\/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM\/MST continuum solvation models<\/em>,\u00a0Phys. Chem. Chem. Phys. 2023<\/strong>, 25(27), 17952<\/a>.<\/span><\/p>\n

76.\u00a0<\/strong>M. Nottoli, M. Bondanza, P. Mazzeo,\u00a0L. Cupellini, C. Curutchet, D. Loco, L. Lagard\u00e8re, J.-P. Piquemal, B. Mennucci and F.\u00a0 Lipparini, QM\/AMOEBA description of properties and dynamics of embedded molecules<\/em>, WIREs Comput. Mol. Sci. 2023<\/strong>, 13(6), e1674<\/a>.<\/span><\/p>\n

75.\u00a0<\/strong>J. R. Souza, C. Curutchet, Y. A. Aoto and P. Homem-De-Mello, Benchmarking DFT functionals for photophysics of pyranoflavylium cations<\/em>,\u00a0J. Mol. Graph. Model. 2023<\/strong>, 122, 108460<\/a>.<\/span><\/p>\n

74.\u00a0<\/strong>M. Curti, V. Maffeis, L.G. Teixeira Alves Duarte, S. Shareef, L.X. Hallado, C. Curutchet and E. Romero, Engineering excitonically coupled dimers in an artificial protein for light harvesting via computational modeling<\/em>, Protein Sci. 2023<\/strong>, 32(3), e4579<\/a>.<\/span><\/p>\n

73.\u00a0<\/strong>R. D. Cunha, L. J. Ferreira, E. Orestes, M. D. Coutinho-Neto, J. M. de Almeida, R. M. Carvalho, C. D. Maciel, C. Curutchet and P. Homem-de-Mello,\u00a0Naphthenic Acids Aggregation: The Role of Salinity<\/span><\/em>,<\/span> Computation\u00a02022<\/strong>, 10(10), 170<\/a>.<\/span><\/p>\n

72.\u00a0<\/strong>A. Viayna, S. Pinheiro, C. Curutchet, F. J. Luque and W. J. Zamora, Prediction of n\u2010octanol\/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM\u2010MST model<\/em>,<\/span>\u00a0J. Comput. Aid. Mol. Des. 2021<\/strong>, 35(7), 803-811<\/a>.<\/span><\/p>\n

71.\u00a0<\/strong>A. Espargar\u00f3,\u00a0S.<\/span>\u00a0Llabr\u00e9s, S.\u00a0J. Saupe,\u00a0C.<\/span>\u00a0Curutchet, F. J. Luque and\u00a0R.<\/span>\u00a0Sabat\u00e9, On the Binding of Congo Red to Amyloid Fibrils,\u00a0<\/em>Angew. Chem. Int. Ed. 2020<\/strong>, 59(21), 8104-8107<\/a>.\u00a0<\/span><\/p>\n

70.\u00a0<\/strong>W. J. Zamora, S. Pinheiro, K. German, C. R\u00e0fols, C. Curutchet and F. J. Luque,\u00a0<\/span>Prediction of the n\u2010octanol\/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculations<\/em>, J. Comput. Aid. Mol. Des. 2020<\/strong>, 34(4), 443-451<\/a>.<\/span><\/p>\n

69.<\/strong> M. Corbella, L. Cupellini, F. Lipparini, G. D. Scholes and C. Curutchet, Spectral variability in phycocyanin cryptophyte antenna complexes is controlled by changes in the \u03b1 polypeptide chains<\/em>,\u00a0ChemPhotoChem\u00a02019<\/strong>,\u00a03(9), 945\u2013956<\/a>.<\/p>\n

68.<\/strong>\u00a0L. Cupellini, M. Corbella, B. Mennucci and\u00a0C. Curutchet, Electronic energy transfer in biomacromolecules<\/em>,\u00a0WIREs Comput. Mol. Sci. 2019<\/strong>, 9(2), e1392<\/a>.<\/p>\n

67.<\/strong>\u00a0M. Corbella, A. A. Voityuk and C. Curutchet, How abasic sites impact hole transfer dynamics in GC-rich DNA sequences<\/em>, Phys. Chem. Chem. Phys. 2018<\/strong>,\u00a020(35), 23123\u201323131<\/a>.<\/p>\n

66.<\/strong>\u00a0M. Corbella, Z. S. D. Toa, G. D. Scholes, F. J. Luque and C. Curutchet, Determination of the protonation preferences of bilin pigments in cryptophyte antenna complexes<\/em>,\u00a0Phys. Chem. Chem. Phys.\u00a02018<\/strong>, 20(33), 21404\u201321416<\/a>.<\/p>\n

65.<\/strong>\u00a0C. Curutchet, L. Cupellini, J. Kongsted, S. Corni, L. Frediani, A. H. Steindal, C. A. Guido, G. Scalmani and B. Mennucci, Density-Dependent Formulation of Dispersion\u2212Repulsion Interactions in Hybrid Multiscale Quantum\/Molecular Mechanics (QM\/MM) Models<\/em>, J. Chem. Theory Comput.\u00a02018<\/strong>, 14(3), 1671\u20131681<\/a>.<\/p>\n

64.<\/strong>\u00a0W. J. Zamora, C. Curutchet, J. M. Campanera and F. J. Luque, Prediction of pH-Dependent Hydrophobic Profiles of Small Molecules from Miertus\u2212Scrocco\u2212Tomasi Continuum Solvation Calculations<\/em>,\u00a0<\/em>J. Phys. Chem. B 2017<\/strong>, 121(42), 9868\u20139880<\/a>.<\/span><\/p>\n

63.<\/strong>\u00a0S. Pinheiro, I. Soteras, J. L. Gelp\u00ed, F. Dehez, C. Chipot, F. J. Luque and C. Curutchet,\u00a0Structural and energetic study of cation\u2013\u03c0\u2013cation interactions in proteins<\/em>,\u00a0Phys.\u00a0Chem. Chem. Phys.\u00a02017<\/strong>, 19(15), 9849-9861<\/a>.<\/span><\/p>\n

62.<\/strong>\u00a0S. Pinheiro and C. Curutchet,\u00a0Can F\u00f6rster Theory Describe Stereoselective Energy Transfer Dynamics in a Protein\u2013Ligand Complex?<\/em><\/span>\u00a0J. Phys. Chem. B 2017<\/strong>, 121(10), 2265\u20132278 <\/a>.<\/span><\/p>\n

61.<\/strong>\u00a0M. Aghtar, U. Kleinekath\u00f6fer, C. Curutchet and B. Mennucci, Impact of Electronic Fluctuations and Their Description on the Exciton Dynamics in the Light-Harvesting Complex PE545<\/em>,\u00a0J. Phys. Chem. B\u00a02017<\/span><\/strong>, 121<\/span>(6), 1330\u20131339.<\/a><\/p>\n

60.<\/strong>\u00a0C. Curutchet and B. Mennucci, Quantum Chemical Studies of Light Harvesting<\/em>, Chem. Rev.\u00a02017<\/strong>, 117(2), 294\u2013343.<\/a><\/p>\n

59.<\/strong>\u00a0R. Guareschi, O. Valsson, C. Curutchet, B. Mennucci and C. Filippi, Electrostatic versus Resonance Interactions in Photoreceptor Proteins: The Case of Rhodopsin<\/em>, J. Phys. Chem. Lett. 2016<\/strong>, 7(22), 4547\u22124553.<\/a><\/p>\n

58.<\/strong>\u00a0A.M. Rosnik and C. Curutchet, Theoretical Characterization of the Spectral Density of the Water-Soluble Chlorophyll-Binding Protein from Combined Quantum Mechanics\/Molecular Mechanics Molecular Dynamics Simulations<\/em>, J. Chem. Theory Comput. 2015<\/strong>, 11(12), 5826\u20135837.<\/a><\/p>\n

57.<\/strong>\u00a0M. Caricato, C. Curutchet, B. Mennucci and G. Scalmani, Electronic Couplings for Resonance Energy Transfer from CCSD Calculations: From Isolated to Solvated Systems<\/em>, J. Chem. Theory Comput. 2015<\/strong>, 11(11), 5219\u20135228.<\/a><\/p>\n

56.<\/strong> M. Corbella, A.A. Voityuk and C. Curutchet, Single Amino Acid Mutation Controls Hole Transfer Dynamics in DNA-Methyltransferase HhaI Complexes<\/em>, J. Phys. Chem. Lett. 2015<\/strong>, 6(18), 3749\u20133753.<\/a><\/p>\n

55.<\/strong> C. Daday, C. Curutchet, A. Sinicropi, B. Mennucci and C. Filippi, Chromophore-protein coupling beyond non-polarizable models: Understanding absorption in green fluorescent protein<\/em>, J. Chem. Theory Comput. 2015<\/strong>,\u00a011(10), 4825\u20134839.<\/a><\/p>\n

54.<\/strong> M. Zgarbov\u00e1, A.M. Rosnik, F.J. Luque, C. Curutchet and P. Jure\u010dka, Transferability and Additivity of Dihedral Parameters in Polarizable and Nonpolarizable Empirical Force Fields<\/em>, J. Comput. Chem. 2015<\/strong>, 36(25), 1874\u20131884.<\/a><\/p>\n

53.<\/strong> S. Jurinovich, L. Viani, C. Curutchet and B. Mennucci, Limits and Potentials of Quantum Chemical Methods in Modelling Photosynthetic Antennae<\/em>, Phys. Chem. Chem. Phys. 2015<\/strong>, 17(46), 30783-30792.<\/a><\/p>\n

52.<\/strong> Q. Li, B. Mennucci, M. A. Robb, L. Blancafort and C. Curutchet, Polarizable QM\/MM Multiconfiguration Self-Consistent Field Approach with State-Specific Corrections: Environment Effects on Cytosine Absorption Spectrum<\/em>, J. Chem. Theory Comput. 2015<\/strong>, 11(4), 1674-1682.<\/a><\/p>\n

51.<\/strong>\u00a0S. Jurinovich, C. Curutchet and B. Mennucci,\u00a0The Fenna\u2013Matthews\u2013Olson Protein Revisited: A Fully Polarizable (TD)DFT\/MM Description<\/em>, ChemPhysChem 2014<\/strong>, 15(15), 3194\u20133204.<\/a><\/p>\n

50.<\/strong> L. Viani, M. Corbella, C. Curutchet, E. J. O’Reilly, A. Olaya-Castro and B. Mennucci, Molecular basis of the exciton-phonon interactions in the PE545 light-harvesting complex<\/em>, Phys. Chem. Chem. Phys. 2014<\/strong>, 16(30), 16302-16311.<\/a><\/p>\n

49.<\/strong> S. Caprasecca, S. Jurinovich, L. Viani, C. Curutchet and B. Mennucci, Geometry Optimization in Polarizable QM\/MM Models: The Induced Dipole Formulation<\/em>, J. Chem. Theory Comput. 2014<\/strong>, 10(4), 1588\u20131598.<\/a><\/p>\n

48.<\/strong> I. Faustino, C. Curutchet, F. J. Luque and M. Orozco, The DNA-forming properties of 6-selenoguanine<\/em>, Phys. Chem. Chem. Phys. 2014<\/strong>, 16(3), 1101-1110.<\/a><\/p>\n

47.<\/strong> N. Holmgaard List, C. Curutchet, S. Knecht, B. Mennucci and J. Kongsted, Toward Reliable Prediction of the Energy Ladder in Multichromophoric Systems: A Benchmark Study on the FMO Light-Harvesting Complex<\/em>, J. Chem. Theory Comput. 2013<\/strong>, 9(11), 4928\u20134938.<\/a><\/p>\n

46.<\/strong> S. Caprasecca, C. Curutchet and B. Mennucci,\u00a0 Dissecting the Nature of Exciton Interactions in Ethyne-Linked Tetraarylporphyrin Arrays<\/em>, J. Phys. Chem. C 2013<\/strong>, 117 (24), 12423\u201312431.<\/a><\/p>\n

45.<\/strong> L. Viani, C. Curutchet and B. Mennucci, Spatial and Electronic Correlations in the PE545 Light-Harvesting Complex<\/em>, J. Phys. Chem. Lett. 2013<\/strong>, 4 (3), 372\u2013377.<\/a><\/p>\n

44.<\/strong> C. Curutchet, V. I. Novoderezhkin, J. Kongsted, A. Mu\u00f1oz-Losa, R. van Grondelle, G. D. Scholes and B. Mennucci, Energy Flow in the Cryptophyte PE545 Antenna is Directed by Bilin Pigment Conformation<\/em>, J. Phys. Chem. B (Paul Barbara Memorial Issue) 2013<\/strong>, 117(16), 4263-4273.<\/a><\/p>\n

43.<\/strong> C. Curutchet and A. A. Voityuk, Distance Dependence of Triplet Energy Transfer in Water and Organic Solvents: A QM\/MD Study<\/em>, J. Phys. Chem. C 2012<\/strong>, 116(42), 22179-22185.<\/a><\/p>\n

42.<\/strong> S. Caprasecca, C. Curutchet and B. Mennucci, Toward a Unified Modeling of Environment and Bridge-mediated Contributions to Electronic Energy Transfer: a Fully Polarizable QM\/MM\/PCM Approach<\/em>, J. Chem. Theory and Comput. 2012<\/strong>, 8(11) 4462-4473.<\/a><\/p>\n

41.<\/strong> C. Curutchet, Fotos\u00edntesis artificial: producir combustibles a partir de la energ\u00eda solar<\/em>, Interempresas Energ\u00edas Renovables 2011<\/strong>, 7, 28-29<\/a>.<\/p>\n

40.<\/strong> S. Caprasecca, C. Curutchet and B. Mennucci, Quantum mechanical study of the solvent-dependence of electronic energy transfer rates in a Bodipy closely-spaced dyad<\/em>, Photochem. Photobiol. Sci. 2011<\/strong>, 10(10), 1602-1609<\/a>.<\/p>\n

39.<\/strong> C. Curutchet and A.A. Voityuk, Environment effects on triplet-triplet energy transfer in DNA<\/em>, Chem. Phys. Lett. 2011<\/strong>, 512(1-3), 118-122<\/a>.<\/p>\n

38.<\/strong> C. Curutchet, J. Poater, M. Sola and J. Elguero, Analysis of the Effects of N-Substituents on Some Aspects of the Aromaticity of Imidazoles and Pyrazoles<\/em>, J. Phys. Chem. A 2011<\/strong>, 115(30), 8571-8577<\/a>.<\/p>\n

37. <\/strong>B. Mennucci and C. Curutchet, The role of the environment in electronic energy transfer: a molecular modeling perspective<\/em>, Phys. Chem. Chem. Phys. 2011<\/strong>,\u00a013(24), 11538-11550.<\/a><\/p>\n

36. <\/strong>C. Curutchet, J. Kongsted, A. Mu\u00f1oz-Losa, H. Hossein-Nejad, G. D. Scholes and B. Mennucci, Photosynthetic light-harvesting is tuned by the heterogeneous polarizable environment of the protein<\/em>, J. Am. Chem. Soc. 2011<\/strong>, 133(9), 3078-3084.<\/a><\/p>\n

35. <\/strong>C. Curutchet and A. A. Voityuk, Triplet\u2013Triplet Energy Transfer in DNA: A Process That Occurs on the Nanosecond Timescale<\/em>,\u00a0 Angew. Chem. Int. Ed. 2011<\/strong>, 50(8), 1820-1822<\/a>.<\/p>\n

34.<\/strong> H. Hossein-Nejad, C. Curutchet, A. Kubica and G. D. Scholes, Delocalization-Enhanced Long-Range Energy Transfer between Cryptophyte Algae PE545 Antenna Proteins<\/em>, J. Phys. Chem. B, 2011<\/strong>, 115(18), 5243-5253<\/a>. Shaul Mukamel Festschrift.<\/p>\n

33.<\/strong> D. L. Andrews, C. Curutchet and G. D. Scholes, Resonance Energy Transfer: Beyond the Limits, <\/em>Laser Photonics Rev. 2011<\/strong>, 5(1), 114-123<\/a>.<\/p>\n

32.<\/strong> V. I. Novoderezhkin, A. B. Doust, C. Curutchet, G. D. Scholes, R. van Grondelle, Excitation Dynamics in Phycoerythrin 545: Modeling of Steady-State Spectra and Transient Absorption with Modified Redfield Theory, <\/em>Biophys. J. 2010<\/strong>, 99(2), 344-352<\/a>.<\/p>\n

31.<\/strong> C. Curutchet, F. A. Feist, B. Van Averbeke, B. Mennucci, J. Jacob, K. M\u00fcllen, T. Basch\u00e9 and D. Beljonne, Superexchange-mediated electronic energy transfer in a model dyad<\/em>, Phys. Chem. Chem. Phys. 2010<\/strong>, 12(27), 7378-7385<\/a>.<\/p>\n

30.<\/strong> J. Neugebauer, C. Curutchet, A. Mu\u00f1oz-Losa and B. Mennucci, A Subsystem TDDFT Approach for Solvent Screening Effects on Excitation Energy Transfer Couplings, <\/em>J. Chem. Theory Comput. 2010<\/strong>, 6(6), 1843-1851<\/a>.<\/p>\n

29.<\/strong> S. Rondeau-Gagn\u00e9, C. Curutchet, F. Grenier, G. D. Scholes and J.-F. Morin, Synthesis, characterization and DFT calculations of new ethynyl-bridged C60<\/sub> derivatives, <\/em>Tetrahedron 2010<\/strong>, 66(23), 4230-4242<\/a>.<\/p>\n

28.<\/strong> J. Kim, V. Huxter, C. Curutchet and G. D. Scholes, Measurement of Electron-Electron Interactions and Correlations using Two-Dimensional Electronic Double-Quantum Coherence Spectroscopy, <\/em> J. Phys. Chem. A 2009<\/strong>, 113(44), 12122-12133<\/a>.<\/p>\n

27.<\/strong> C. Curutchet, A. Mu\u00f1oz-Losa, S. Monti, J. Kongsted, G. D. Scholes and B. Mennucci, Electronic energy transfer in condensed phase studied by a polarizable QM\/MM model,<\/em> J. Chem. Theory Comput. 2009<\/strong>,\u00a0 5(7), 1838-1848<\/a>.<\/p>\n

26.<\/strong> A. Mu\u00f1oz-Losa, C. Curutchet, B. P. Krueger, L. R. Hartsell and B. Mennucci, Fretting about FRET:\u00a0 Failure of the Ideal Dipole Approximation, <\/em>Biophys. J. 2009<\/strong>, 96(12), 4779-4788<\/a>.<\/p>\n

25.<\/strong> E. Hennebicq, D. Beljonne, C. Curutchet, G. D. Scholes and R. J. Silbey, Shared-mode assisted resonant energy transfer in the weak coupling regime,<\/em> J. Chem. Phys. 2009<\/strong>, 130(21), 214505<\/a>.<\/p>\n

24.<\/strong> D. Beljonne, C. Curutchet, G. D. Scholes and R. J. Silbey, Beyond F\u00f6rster resonance energy transfer in biological and nanoscale systems<\/em>, J. Phys. Chem. B Feature Article, 2009<\/strong>, 113(19), 6583\u20136599<\/a>.<\/p>\n

23.<\/strong> C. Y. Wong, C. Curutchet, S. Tretiak and G. D. Scholes, Ideal dipole approximation fails to predict electronic coupling and energy transfer between semiconducting single-wall carbon nanotubes, <\/em>J. Chem. Phys. 2009<\/strong>, 130(8), 081104<\/a>.<\/p>\n

22.<\/strong> A. Klamt, B. Mennucci, J. Tomasi, V. Barone, C. Curutchet, M. Orozco and F. J. Luque, On the Performance of Continuum Solvation Methods. A Comment on Universal Approaches to Solvation Modeling<\/em>, Acc. Chem. Res., 2009<\/strong>, 42(4), 489\u2013492<\/a>.<\/p>\n

21.<\/strong> C. Curutchet, A. Franceschetti, A. Zunger and G. D. Scholes, Examining F\u00f6rster energy transfer for semiconductor nanocrystalline quantum dot donors and acceptors, <\/em> J. Phys. Chem. C, 2008<\/strong>, 112(35), 13336-13341<\/a>.<\/p>\n

20.<\/strong> A. Mu\u00f1oz-Losa, C. Curutchet, I. Fdez. Galv\u00e1n and B. Mennucci, Quantum mechanical methods applied to excitation energy transfer: A comparative analysis on excitation energies and electronic couplings, <\/em>J. Chem. Phys. 2008<\/strong>, 129(3), 034104<\/a>.<\/p>\n

19.<\/strong> C. Curutchet, B. Mennucci, G.D. Scholes and D. Beljonne, Does F\u00f6rster theory predict the rate of electronic energy transfer for a model dyad at low temperature?,<\/em> J. Phys. Chem. B 2008<\/strong>, 112(12), 3759-3766<\/a>.<\/p>\n

18.<\/strong> C. Curutchet, G.D. Scholes, B. Mennucci and R. Cammi, How solvent controls electronic energy transfer and light harvesting: Toward a quantum-mechanical description of reaction field and screening effects, <\/em> J. Phys. Chem. B 2007<\/strong>, 111(46), 13253-13265<\/a>.<\/p>\n

17.<\/strong> I. Soteras, C. Curutchet, A. Bidon-Chanal, F. Dehez, J. G. \u00c1ngy\u00e1n, M. Orozco, C. Chipot and F. J. Luque, Derivation of distributed models of atomic polarizability for molecular simulations, <\/em> J. Chem. Theory Comput. 2007<\/strong>, 3(6), 1901-1913<\/a>.<\/p>\n

16.<\/strong> G.D. Scholes, C. Curutchet, B. Mennucci, R. Cammi and J. Tomasi, How solvent controls electronic energy transfer and light harvesting, <\/em> J. Phys. Chem. B 2007<\/strong>, 111(25), 6978-6982<\/a>.<\/p>\n

15.<\/strong> T. Mirkovic, A.B. Doust, J. Kim, K.E. Wilk, C. Curutchet, B. Mennucci, R. Cammi, P.M.G. Curmi and G.D. Scholes, Ultrafast light harvesting dynamics in the cryptophyte phycocyanin 645, <\/em>Photochem. Photobiol. Sci. 2007<\/strong>, 6(9), 964-975<\/a>.<\/p>\n

14.<\/strong> V. Russo, C. Curutchet and B. Mennucci, Towards a molecular scale interpretation of excitation energy transfer in solvated bichromophoric systems. II. The through bond contribution,<\/em> J. Phys. Chem. B 2007<\/strong>, 111(4), 853-863<\/a>.<\/p>\n

13.<\/strong> P. Camps, E. Gomez, D. Munoz-Torrero, A. Badia, M.V. Clos, C. Curutchet, J. Munoz-Muriedas and F.J. Luque, Binding of 13-Amidohuprines to Acetylcholinesterase: Exploring the Ligand-Induced Conformational Change of the Gly117-Gly118 Peptide Bond in the Oxyanion Hole, <\/em>J. Med. Chem. 2006<\/strong>, 49(23), 6833-6840<\/a>.<\/p>\n

12.<\/strong> C. Curutchet, R. Cammi, B. Mennucci and S. Corni, Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces, <\/em>J. Chem. Phys. 2006<\/strong>, 125(5), 054710<\/a>.<\/p>\n

11.<\/strong> C. Curutchet, M. Orozco, F. J. Luque, B. Mennucci and J. Tomasi, Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model, <\/em>J. Comput. Chem. 2006<\/strong>, 27(15), 1769-1780<\/a>.<\/p>\n

10.<\/strong> C. Curutchet and B. Mennucci, Towards a molecular scale interpretation of excitation energy transfer in solvated bichromophoric systems, <\/em> J. Am. Chem. Soc. 2005<\/strong>, 127(47), 16733-16744<\/a>.<\/p>\n

9.<\/strong> I. Soteras, C. Curutchet, A. Bidon-Chanal, M. Orozco and F.J. Luque, Extension of the MST model to the IEF formalism: HF and B3LYP parametrizations, <\/em>J. Mol. Struc. TEOCHEM 2005<\/strong>, 727(1-3), 29-40<\/a>.<\/p>\n

8.<\/strong> C. Curutchet, A. Bidon-Chanal, I. Soteras, M. Orozco and F.J. Luque, MST Continuum Study of the Hydration Free Energies of Monovalent Ionic Species, <\/em>J. Phys. Chem. B 2005<\/strong>, 109(8), 3565-3574<\/a>.<\/p>\n

7.<\/strong> C. Curutchet, A. Bidon-Chanal, M. Orozco and F.J. Luque, MST Study of Group Contributions for alkane derivatives: Effect of the charge normalization, <\/em>Chem. Phys. Lett. 2004<\/strong>, 384(4-6), 299-305<\/a>.<\/p>\n

6.<\/strong> F.J. Luque, C. Curutchet, J. Mu\u00f1oz, A. Bidon-Chanal, I. Soteras, A. Morreale, J.L. Gelpi and M. Orozco, Continuum Solvation Models: Dissecting the Free Energy of Solvation, <\/em>Phys. Chem. Chem. Phys. 2003<\/strong>, 5(18), 3827-3836<\/a>.<\/p>\n

5.<\/strong> C. Curutchet, J.M. Bofill, B. Hernandez, M. Orozco and F.J. Luque, Energy Decomposition in Molecular Complexes: Implications for the Treatment of Polarization in Molecular Simulations, <\/em>J. Comput. Chem. 2003<\/strong>, 24(10), 1263-1275.<\/a><\/p>\n

4.<\/strong> C. Curutchet, C. J. Cramer, D. G. Truhlar, M. Ruiz Lopez, D. Rinaldi, M. Orozco and F.J. Luque, Electrostatic Component of Solvation: Comparison of SCRF Continuum Models, <\/em>J. Comput. Chem. 2003<\/strong>, 24(3), 284-297<\/a>.<\/p>\n

3.<\/strong> C. Curutchet, A.Salichs, X.Barril, M. Orozco and F.J. Luque, Transferability of Fragmental Contributions to the Octanol\/Water Partition Coefficient: An NDDO Based MST Study,<\/em> J. Comput. Chem. 2003<\/strong>, 24(1), 32-45<\/a>.<\/p>\n

2.<\/strong> B. Hern\u00e1ndez, C. Curutchet, C. Colominas,\u00a0 M. Orozco and F.J. Luque, Prediction of Conformational Free Energy Differences of Solutes in Solution: An MC-MST Study, <\/em>Mol. Simulat. 2002<\/strong>, 28(1-2), 153-171<\/a>.<\/p>\n

1.<\/strong> C. Curutchet, M. Orozco and F.J. Luque, Solvation in Octanol: Parametrization of the Continuum MST Model<\/em>, J. Comput. Chem. 2001<\/strong>, 22(11) 1180-1193<\/a>.<\/p>\n

Book chapters<\/strong><\/p>\n

4.<\/strong> C. Curutchet and B. Mennucci, Chlorophylls in a protein environment: How to calculate their spectral and redox properties (from MO to DFT)<\/em>, in Light Harvesting in Photosynthesis, Eds: R. Croce, R. van Grondelle, H. van Amerongen and I. van Stokkum. CRC Press (Taylor and Francis Group), Boca Raton (FL, USA), 2018<\/strong>.<\/a><\/p>\n

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\u00a03.<\/strong> E. Collini, C. Curutchet, T. Mirkovic and G. D. Scholes, Electronic energy transfer in photosynthetic antenna systems,<\/em> in Energy Transfer Dynamics in Biomaterial Systems. Eds: I. Burghardt, V. May, D. A. Micha,\u00a0 E. R. Bittner. Springer Series in Chemical Physics, Vol. 93, Springer-Verlag, Heidelberg\/Berlin, 2009<\/strong><\/a>.<\/p>\n

2.<\/strong> C. Curutchet, Modelling solvent effects in photoinduced energy and electron transfers: the electronic coupling<\/em>, in Continuum Solvation Models in Chemical Physics: Theory and Applications, Eds: R. Cammi and B. Mennucci, Wiley 2007<\/strong>.<\/a><\/p>\n

1.<\/strong> F.J. Luque, A. Bidon-Chanal, J. Mu\u00f1oz-Muriedas, I. Soteras, C. Curutchet, A. Morreale and M. Orozco, Solute-solvent interactions from QM SCRF methods: Analysis of group contributions to solvation<\/em>, in Fundamental World of Quantum Chemistry: A tribute to the memory of Per-Olov L\u00f6wdin, Vol. 3. Eds: E. Brandas and E. Kryachko. Kluwer Academic Publishers, 2004<\/strong>.<\/p>\n<\/div>\n<\/div>\n<\/div>\n","protected":false},"excerpt":{"rendered":"

You can also access Dr. Curutchet’s WoS Researcher ID C-5204-2008, SCOPUS Author ID 9737651900\u00a0and ORCID 0000-0002-0070-1208\u00a0profiles. Articles 88. L. G. Teixeira Alves Duarte, I. Lamas, D. B\u00e4uerle, S. Shareef, R. D. Cunha, C. Curutchet, M. Curti and E. Romero, Unraveling Charge-Transfer States and Their Ultrafast Dynamics in Artificial Light-Harvesting Complexes,\u00a0ACS Phys. Chem Au 2026, in…<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":4,"comment_status":"closed","ping_status":"open","template":"","meta":{"footnotes":""},"class_list":["post-13","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/www.ub.edu\/cplab\/wp-json\/wp\/v2\/pages\/13","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ub.edu\/cplab\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.ub.edu\/cplab\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.ub.edu\/cplab\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ub.edu\/cplab\/wp-json\/wp\/v2\/comments?post=13"}],"version-history":[{"count":25,"href":"https:\/\/www.ub.edu\/cplab\/wp-json\/wp\/v2\/pages\/13\/revisions"}],"predecessor-version":[{"id":831,"href":"https:\/\/www.ub.edu\/cplab\/wp-json\/wp\/v2\/pages\/13\/revisions\/831"}],"wp:attachment":[{"href":"https:\/\/www.ub.edu\/cplab\/wp-json\/wp\/v2\/media?parent=13"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}