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Carlotto, Silvia (2008) Modeling of dynamic solvation effects. [Tesi di dottorato]

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Abstract (inglese)

Reactivity of molecular and supramolecular systems is greatly modified by the surrounding environment, often a fluid medium, and an active area of research is nowadays the study of the influence of a solvent structure on the static and dynamic properties of photo-active and paramagnetic probes, varying solvent properties, sample geometry and external perturbations.
Standard continuum solvent theories are based on crude representations of the probe. Solvation processes depend in a specific way upon the structure of the solute, and in particular on molecular features as shape, flexibility, distribution of charges and anisotropy of the polarizability. Augmented solvent continuum approaches have been developed to interpret chromophore dynamics to account for persistent solvent local structures. Description of collective solvent modes is also necessary to understand relaxation processes affecting dynamics at longer times, in complex fluid environments: phase transitions in supercooled liquids, rheological properties of emulsions and colloids, confinement effects and finally micro and nano-probes dynamics. The inclusion of solvent effects is of great importance, in order to understand the physical mechanisms responsible of the tuning of the optical properties and therefore to the ultimate possibility to design nanomaterials with specific optical response. Theoretical methodologies based on stochastic and hydrodynamic modeling have proven over the years to be a powerful approach, especially when coupled with advanced quantum mechanical treatments, to describe effectively the dynamical aspects of solvation. The relationship between spectroscopic measurements and molecular properties can be gathered only indirectly, that is, structural and dynamic molecular characteristics can be inferred by the systematic application of modelling and numerical simulations to interpret experimental observables. A straightforward way to achieve this goal is the employment of spectroscopic evidence as the "target" of a fitting procedure of molecular, mesoscopic and macroscopic parameters entering the model. A more refined methodology is based on the combination of quantum mechanical calculations of structural parameters possibly including environmental and fast vibrational and librational averaging, and direct feeding of calculated molecular parameters into dynamic models based on molecular dynamics, coarse grain dynamics, and above all stochastic modeling or a combination of the three.
Our main objective in this PhD work has been to discuss the degree of progress of advanced theoretical models are explored, aimed at clarifying the influence of solvent-driven relaxation processes on optic, magnetic and rheological observables. In particular we have developed integrated computational approaches to the interpretation of fluorescence emission of organic molecules in solvated environments, CW-ESR spectroscopy and rheological properties of ordered systems via combination of advanced quantum mechanical approaches, stochastic modeling of relaxation processes, and, in the last case, macroscopic models.
In the first period we have shown that the model proposed is able to reproduce the spectral position and shape of the emission spectra. In particular the model reproduces the red shift expected for TICT excited states when the dielectric constant of the solvent increases. We developed a stochastic approach to the interpretation of the emission fluorescence of 4-(N,N-dimethylamino) benzonitrile (DMABN). Than we proceed by extending the modeling approach, in which internal degrees of freedom are coupled with an effective solvent relaxation variable. The extension of the model is applied to the simulation of the emission spectra of DMABN-Crown5, a DMABN derivative. Evaluation of potential energy surfaces using advanced QM approach and estimates of dissipative parameters based on hydrodynamic arguments are discussed. Emission fluorescence is calculated by solving a diffusion/sink/source equation for the stationary population of excited state, and compared to experimentally measured emission fluorescence of DMABN and DMABN-Crown5. Next we developed the complete a priori simulation of the ESR spectra of complex systems in solution. The usefulness and reliability of the method are demonstrated on the very demanding playground represented by the tuning of the equilibrium between 310- and ?-helices of polypeptides by different solvents. The starting point is good agreement between computed and X-ray diffraction structures for the 310-helix adopted by the double spin-labelled heptapeptide Fmoc-(Aib-Aib-TOAC)2-Aib-OMe. Next, density functional computations, including dispersion interactions and bulk solvent effects, suggest another energy minimum corresponding to an ?-helix in polar solvents, which, eventually, becomes the most stable structure. Computation of magnetic and diffusion tensors provides the basic ingredients for the building of complete spectra by methods rooted in the Stochastic Liouville Equation (SLE). The remarkable agreement between computed and experimental spectra at different temperatures allowed us to identify helical structures in the various solvents. The generality of the computational strategy and its implementation in effective and user-friendly computer codes pave the route toward systematic applications in the field of biomolecules and other complex systems. Finally, the purpose of the last part of the PhD period has been to analyze the dynamical behavior of a low viscosity nematic liquid crystals in presence of micro-size probe. We present a study of the translational friction coefficients of spherical and ellipsoidal probes moving in nematic liquid crystalline fluids, by solving numerically the constitutive hydrodynamic equations of nematic. The evaluation of the translational friction coefficients is based on a numerical solution of Leslie-Ericksen constitutive equations for the case of incompressible nematic fluids. The nematic medium is described by a vector field which specifies the director orientation in each point and by the velocity vector field. Simulation of director dynamics surrounding the moving probe are presented, and the dependence of translational diffusion upon liquid crystal viscoelastic parameters is discussed. The time evolution of director field, described by Leslie-Ericksen equations, is studied in the presence of an orienting magnetic field in two characteristic situations: director of motion parallel and perpendicular to field.


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Tipo di EPrint:Tesi di dottorato
Relatore:Polimeno, Antonino
Dottorato (corsi e scuole):Ciclo 20 > Scuole per il 20simo ciclo > SCIENZE MOLECOLARI > SCIENZE CHIMICHE
Data di deposito della tesi:2008
Anno di Pubblicazione:2008
Parole chiave (italiano / inglese):modeling, solvation effects, ESR spectra, fluorescence spectra
Settori scientifico-disciplinari MIUR:Area 03 - Scienze chimiche > CHIM/02 Chimica fisica
Struttura di riferimento:Dipartimenti > Dipartimento di Scienze Chimiche
Codice ID:233
Depositato il:31 Ott 2008
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[1] Orozco, M.; Alhambra, C.; Barril, X.; Lopez, J. M.; Busquets, M. A.; Lunque, F. J. J. Mol. Model. 1996, 2, 1. Cerca con Google

[2] Chong, D. P. Recent Advanced in Density Functional Methods, World Scientific 1997. Cerca con Google

[3] Giesen, D. G.; Storer, J. W.; Cramer, C. J.; Truhlar, D. G. J. Am. Chem. Soc. 1995, 117, 1057. Cerca con Google

[4] Sahimi, M. Heterogeneous Materials, Springer 2003. Cerca con Google

[5] Massova, I.; Kollman, P. A. Persp. Drug Disc. Design 2000, 18, 13. Cerca con Google

[6] Born, M. Z. Phys. 1920, 1, 45. Cerca con Google

[7] Kirkwood, J. G. J. Che. Phys. 1934, 2, 351. Cerca con Google

[8] Onsager, L. J. Am. Chem. Soc. 1936, 58, 1486. Cerca con Google

[9] Miertu¸s, S.; Tomasi, J. J. Chem. Phys. 1982, 65, 329. Cerca con Google

[10] Cramer, C. J. Essentials of Computational Chemistry: Theories and Models, John Wiley and Sons 2004. Cerca con Google

[11] Smith, P. E.; Pettitt, B. M. J. Phys. Chem. 1994, 98, 9700. Cerca con Google

[12] Sutmann, G. Quantum Simulations of Complex Many-Body Systems: From Thoery to Alorithms, Grotendorst J., Marx D., A. Muramatzu (Eds.), John von Neumann Institute for Computing, JÄulich, NIC Series, vol. 10, 211, 2002. Cerca con Google

[13] Allen, M. P. Computational Soft Matter: From Syntetic Polymers to Proteins, NIC Series, 2004, 23, 1. Cerca con Google

[14] Hinchliffe, A. Chemical Modelling: Applications and Theory, Royal Society of Chemistry 2000. Cerca con Google

[15] Hohenberg, P.; Kohn, W. Phys. Rev. 1964, 136, B864. Cerca con Google

[16] Labanowski, J. K.; Andzelm, J. W. Density functional Methods in Chemistry, Springer-Verlag New York, New York 1991. Cerca con Google

[17] Thomas, L. H. Proc. Cambridge Phil. Soc. 1927, 23, 542. Cerca con Google

[18] Fermi, E. Physik 1928, 48, 73. Cerca con Google

[19] Jones, R. O.; Gunnansson, O. Rev. Mod. Phys. 1989, 61, 689. Cerca con Google

[20] Slater, J. C. Quantum Theory of Matter, McGraw Hill, Nwe York, 1968. Cerca con Google

[21] March, N. H. Adv. Phys. 1957, 6, 1. Cerca con Google

[22] Dirac, P. A. M. Proc. Cambridge Phil. Soc. 1930, 26, 376. Cerca con Google

[23] Chakraborty, A. Molecular Modeling and Theoty in Chemical Engineering, Accademic Press, Elsevier 2001. Cerca con Google

[24] Kohn, W.; Sham, L. J. Phys. Rev. A 1965, 140, 1133. Cerca con Google

[25] Marquez, M. A. L.; Gross, E. K. U. Annu. Rev. Phys. Chem. 2004, 55, 427. Cerca con Google

[26] Parr, R. G.; Yang, W. Density Functional Theory of Atoms and Molecules, Oxford University Press: Oxford 1989. Cerca con Google

[27] Seminario, J.; Politzer, P.; Modern Density Functional Theory-A Tool for Chemistry, Theoretical and Computational Chemistry, Volume 2, Elsievier, Amsterdam 1995. Cerca con Google

[28] Ziegler, T. Chem. Rev. 1991, 91, 651. Cerca con Google

[29] Bartolotti, L. J. Rewievs in Computational Chemistry, Volume VII, Lipkowits K. B. and Boyd D. B. Editors, VCH Publishers, New York 1996. Cerca con Google

[30] St-Amant, A. Rewievs in Computational Chemistry, Volume VII, Lipkowits K. B. and Boyd D. B. Editors, VCH Publishers, New York 1996. Cerca con Google

[31] Autschbach, J. Structr. Bond. 2004, 112, 1. Cerca con Google

[32] Rosa, A.; Ricciardi, G.; Gritsenko, O.; Baerends, E. J. Structr. Bond. 2004, 112, 49. Cerca con Google

[33] Kaltsoyannis, N.; McGrady, J. E. Principles and Applications od Density Functional Theory in Inorganic Chemistry, Springer 2004. Cerca con Google

[34] Li, S.; Liu, W. K. Meshfree Particle Methods, Springer, 2004. Cerca con Google

[35] www.charmm.org Vai! Cerca con Google

[36] www.amber.scripps.edu Vai! Cerca con Google

[37] Marx, D.; Hutter, J. Modern Methods and Algorithms of Quantum Chemistry, J. Grotendorst (Ed.), John von Neumann Institute for Computing, JÄulich, NIC Series, vol. 1, 301, 2000. Cerca con Google

[38] Car, R.; Parrinello, M. Phys. Rev. Lett. 1985, 55, 2471. Cerca con Google

[39] Martin, R. M. Electronic Structure: Basic Theory and Practical Methods, Cambridge University Press 2004. Cerca con Google

[40] Gao, J. Methods and applications of combined quantum mechanical and molecular mechanical potentials, p.119-185 in Reviews in Computational Chemistry 1996, 7, 119. Cerca con Google

[41] Ho, L. L.; MacKerel, A. D. J. Phys. Chem. 1996, 100, 4466. Cerca con Google

[42] Hartsough, D. S.; Merz, K. M. J. Phys. Chem. 1995, 99, 11266. Cerca con Google

[43] Lyne, P. D.; Mulholland, A. J.; Richards, W. G. J. Am. Chem. Soc. 1995, 117, 11345. Cerca con Google

[44] Li, H.; Hains, A. W.; Everts, J. E.; Robertson, A. D.; Jensen, J. H. J. Phys. Chem. B 2002, 106, 3486. Cerca con Google

[45] Thompson, M. A. J. Am. Chem. Soc. 1995, 117, 11341. Cerca con Google

[46] Matsubara, T.; Maseras, F.; Koga, N.; Morokuma, K. J. Phys. Chem. 1996, 100, 2573. Cerca con Google

[47] Gao, J. J. Phys. Chem. 1992, 96, 537. Cerca con Google

[48] Gao, J. J. Am. Chem. Soc. 1994, 116, 9324. Cerca con Google

[49] Liu, H.; Muller-Plathe, F.; van Gunsteren, W. F. J. Chem. Phys. 1995, 102, 1722. Cerca con Google

[50] Bash, P. A.; Field, M. J.; Davenport, R. C.; Petsko, G. A.; Ringe, D.; Karplus, M. Biochemistry 1991, 30, 5826. Cerca con Google

[51] Warshel, A.; Levitt, M. J. Mol. Biol. 1976, 100, 13213. Cerca con Google

[52] Singh, U. C.; Kollman, P. A. J. Comput. Chem. 1986, 7, 718. Cerca con Google

[53] Aqvist, J.; Warshel, A. Chem. Rev. 1993, 93, 2523. Cerca con Google

[54] Cramer, C. J.; Truhlar, D. G. Chem. Rev. 1999, 99, 2161. Cerca con Google

[55] Tomasi, J.; Persico, M. Chem. Rev. 1994, 94, 2027. Cerca con Google

[56] Amovilli, C.; Mennucci, B. J. Phys. Chem. B 1997, 101, 1051. Cerca con Google

[57] Cui, Q. J. Chem. Phys. 2002, 117, 4720. Cerca con Google

[58] Bondi, A. J. Phys. Chem. 1964, 229, 244. Cerca con Google

[59] Tomasi, J.; Cammi, R.; Mennucci, B.; Cappelli, C.; Corni, S. Phys. Chem. Chem. Phys. 2002, 4, 5697. Cerca con Google

[60] Cances, E.; Mennucci, B.; Tomasi, J. J. Chem. Phys. 1997, 107, 3032. Cerca con Google

[61] Tomasi, J.;Mennucci, B.; Cammi, R. Chem. Rev. 2005, 105, 2999. Cerca con Google

[62] Hoogerbrugge, P. J.; Koelman, J. M. V. A. Europhys. Lett. 1992, 19, 155. Cerca con Google

[63] Espa~nol, P.; Warren, P. Europhys. Lett. 1995, 30, 191. Cerca con Google

[64] Espa~nol, P. Phys. Rev. E 1995, 52, 1734. Cerca con Google

[65] Marsh, C.; Backx, G.; Ernst, M. H. Europhys. Lett. 1997, 38, 411. Cerca con Google

[66] Marsh, C.; Backx, G.; Ernst, M. H. Phys. Rev. E 1997, 56, 1976. Cerca con Google

[67] Ripoll, M.; Ernst, M. H.; Espa~nol, P. J. Chem. Phys. 2001, 115, 7271. Cerca con Google

[68] Romanovsky, Y. M.; Ebeling, W.; Schimansky-Geier, L. Stochastic Dynamics of Reacting Biomolecules, World Scientific 2002. Cerca con Google

[69] Kijima, M. Markov Processes for Stochastic Modeling, CRC Press 1997. Cerca con Google

[70] Waldron, J. T.; Kalmykov, Y. P.; Coffey, W. The Langevin Equation: With Apllications in Physics, Chemistry and Electrical Engineering, World Scientific Series in Contemporary Chemical Physics, vol. 10, 1996. Cerca con Google

[71] Dattagupta, S.; Puri, S. Dissipative Phenomena in Condensed Matter: Some Applications, Springer 2004. Cerca con Google

[72] Kadanoff, L. P. Statistical Physics: Statics, Dynamics and Renormalization, World Scientific 2000. Cerca con Google

[73] Risken, H. The Fokker-Plack Equation: Methods of Solution and Applications, Springer 1996. Cerca con Google

[74] Feng, X.; Thompson, W. H. J. Phys. Chem. C 2007, 10.1021/jp074516h. Cerca con Google

[75] Hinch, E. J. J. Fluid Mech. Dig. Arch. 1975, 72, 499. Cerca con Google

[76] de Baas, A. F. Quart. J. Roy. Meteor. Soc. 1986, 112, 165. Cerca con Google

[77] Namsrai, K. H.; Hulree, Njamtseren, N. Int. J. Mod. Phys. A 1992, 7, 2661. Cerca con Google

[78] Oppenheim, I.; Orsky, A. J. Stat. Phys. 2005, 65, 859. Cerca con Google

[79] Trigger, S. A.; Ebeling, A. M.; Ignatov, A. M.; Tkachenko, I. M. Contrib. Plasma Phys. 2003, 43, 377. Cerca con Google

[80] KÄuhn, O.; Yi, Z.; Feng, S.; Yijing, Y. J. Chem. Phys. 2000, 12, 6104. Cerca con Google

[81] Trigger, S. A. Phys. Rev. E 2003, 67, 046403. Cerca con Google

[82] Kou, S. C.; Xie, X. S. Phys. Rev. Lett. 2004, 93, 180603. Cerca con Google

[83] Nykypanchuk, D.;Strey, H. H.; Hoagland, D. A. Science 2002, 297, 987. Cerca con Google

[84] Leimkuhler, B. New Algorithms for Macromolecular Simulation, Springer 2006. Cerca con Google

[85] Warwicker, J.; Watson, H. C. J. Mol. Biol. 1982, 157, 671. Cerca con Google

[86] Parker, D. F. Fields, Flows, and Waves: An Introduction to Continuum Models, Springer 2003. Cerca con Google

[87] Roux, B.; Simonson, T. Biophys. Chem. 1999, 78, 1. Cerca con Google

[88] Feig, M.; Brooks, C. L. Curr. Opin. Struct. Biol. 2004, 14, 217. Cerca con Google

[89] Rinaldi, D.; Rivail, J. L. Theor. Chim. Acta 1973, 32, 57. Cerca con Google

[90] Still, W. C.; Tempczyk, A.; Hawley, R. C.; Hendrickson, T. J. Am. Chem. Soc. 1990, 112, 6127. Cerca con Google

[91] Onufriev, A.; Bashford, D.; Case, D. A. J. Comp. Chem. 2002, 23, 1297. Cerca con Google

[92] Rapp, C.; Friesner, R. Proteins Struct. Funct. Genet. 1999, 35, 173. Cerca con Google

[93] Wang, T.; Wade, R. Proteins Struct. Funct. Genet. 2003, 50, 158. Cerca con Google

[94] Xia, B.; Tsui, V.; Case, D.; Dyson, H.; Wright, P. J. Biomol. NMR 2002, 22, 317. Cerca con Google

[95] Nymeyer, H.; Garcia, A. E. Proc. Natl. Acad. Sci. 2003, 1000, 13934. Cerca con Google

[96] Ferrara, P.; Apostolakis, J.; Ca°isch, A. Proteins Struct. Funct. Genet. 2002, 46, 24. Cerca con Google

[97] Jean-Charles, A.; Nicholls, A.; Sharp, K.; Honig, B.; Tempczyk, A.; Hendrickson, T.; Still, W. C. J. Am. Chem. Soc. 1991, 113, 1454. Cerca con Google

[98] Alkorta, I.; Villar, H.; Perez, J. J. J. Comp. Chem. 1993, 14, 620. Cerca con Google

[99] Misra, V. K.; Sharp, K.; Friedman, N. A.; Honig, B. J. Mol. Biol. 1994, 238, 245. Cerca con Google

[100] Lucy, L. B. Astron. J. 1977, 82, 1013. Cerca con Google

[101] Monaghan, J. J. Ann. Rev. Astron. Astrophys. 1992, 30, 543. Cerca con Google

[102] Liu, G: R.; Liu, M. B. Smoothed particle hydrodynamics: a meshfree particle method, World Scientific 2003. Cerca con Google

[103] Español, P.; Revenga, M. Phys. Rev. E 2003, 67, 026705. Cerca con Google

[104] Caricato, M.; Mennucci, B.; Tomasi, J. J. Chem. Phys. 2005, 122, 154501. Cerca con Google

[105] Tellung, A. Physica 1953, 19, 217. Cerca con Google

[106] Turski, L. A. Physica 1972, 57, 432. Cerca con Google

[107] Dzyaloshinskii, I. E.; Volovick, G. E. Ann. Phys. 1980, 125, 67. Cerca con Google

[108] van Saarloos, W.; Bedeaux, D.; Mazur, P. Physica A 1981, 107, 435. Cerca con Google

[109] Ä Ottinger, H. C.; Grmela, M. Phys. Rev. E 1997, 56, 6633. Cerca con Google

[110] Grmela, M. Phys. Lett. 2002, 296, 97. Cerca con Google

[111] Nguyen, S.; Turski, L. A. Physica A 1999, 272, 48. Cerca con Google

[112] Nguyen, S.; Turski, L. A. J. Phys. A: Math. Gen. 2001, 34, 9281. Cerca con Google

[113] Anthony, K. H. J. Non-Newton. Fluid. 2001, 92, 291. Cerca con Google

[114] Muschik, W.; Papenfuss, C.; Ehrentraut, H. J. Non-Newton. Fluid. 2001, 96, 255. Cerca con Google

[115] Landau, L. D.; Lifshitz, E. M. Physique Statistique, Mir 1984. Cerca con Google

[116] Forster, D.; Nelson, D. R.; Stephen, M. J. Phys. Rev. Lett. 1976, 36, 867. Cerca con Google

[117] Forster, D.; Nelson, D. R.; Stephen, M. J. Phys. Rev. A 16, 732 (1977). Cerca con Google

[118] Grabert, H.; Green, M. S. Phys. Rev. A 1979, 19, 1747. Cerca con Google

[119] Grabert, H.; Graham, R.; Green, M. S. Phys. Rev. A 1980, 21, 2176. Cerca con Google

[120] Enz, C. P. Physica A 1977, 89, 1. Cerca con Google

[121] Enz, C. P. Physica A 1978, 94, 20. Cerca con Google

[122] Enz, C. P.; Turski, L. Physica A 1979, 96, 369. Cerca con Google

[123] van Saarloos, W.; Bedeaux, D.; Mazur, P. Physica A 1982, 110, 147. Cerca con Google

[124] Das, S.; Mazenko, G. F. Phys. Rev. A 1986, 34, 2265. Cerca con Google

[125] Kim, B.; Mazenko, G. F. J. Stat. Phys. 1991, 64, 631. Cerca con Google

[126] Eyink, G. L.; Lebowitz, J. L.; Spohn, H. J. Stat. Phys. 1996, 65, 385. Cerca con Google

[127] Mazur, P. Physica A 1998, 261, 451. Cerca con Google

[128] Rubi, J. M.; Mazur, P. Physica A 2000, 276, 477. Cerca con Google

[129] Grabert, H. Projection Operator Techniques in Nonequilibrium Statistical Mechanics, Springer, Berlin 1982. Cerca con Google

[130] Zubarev, D. N.; Morozov, V. G. Physica A 1983, 20, 411. Cerca con Google

[131] Espan~ol, P. Physica A 1998, 248, 77. Cerca con Google

[132] Backer, N. A. Curr. Opin. Struct. Biol. 2005, 15, 137. Cerca con Google

[133] Lin, J. H.; Backer, N. A.; McCammon, J. A. Biophys. J. 2002, 83, 1374. Cerca con Google

[134] Edwards, S.; Corry, B.; Kuyucak, S.; Chung, S. H. Biophys. J. 2002, 83, 1348. Cerca con Google

[135] Sheinerman, F. B.; Brooks, C. L. Proc. Natl. Acad. Sci. USA 1998, 95, 1562. Cerca con Google

[136] Sheinerman, F. B.; Brooks, C. L. J. Mol. Biol. 1998, 278, 439. Cerca con Google

[137] Gaussian 03, Revision C.02, Frisch, M. J.; et all. Gaussian, Inc.: Pittsburgh, PA, 2003. Cerca con Google

[138] Barone, V.; Polimeno, A. Chem. Soc. Rev. 2007, 36, 1724. Cerca con Google

[139] Valeur, B.; Brochon, J. C. New Trends in Fluorescence Spectroscopy: Applications to Chemical and Life Sciences, Springer 2001. Cerca con Google

[140] Bakalova, S.; Kaneti, J. Spectrochim. Acta Part A 2000, 56, 1443. Cerca con Google

[141] Tatchen, J.; Marion, C. M. Phys. Chem. Chem. Phys. 2006, 8, 2133. Cerca con Google

[142] Lukes, V.; Aquino, A.; Lischka, H. J. Phys. Chem. A 2005, 109, 10232. Cerca con Google

[143] Baraldi, I.; Brancolini, G.; Momicchioli, F.; Ponterini, G.; Vanossi, D. Chem. Phys. 2003, 288, 309. Cerca con Google

[144] Chen, R.; Huang, Z.; Lui, H.; Hamzavi, I.; McLean, D. I.; Xie, S.; Zeng, H. J. Photochem. Photobiol. B: Biol. 2007, 86, 219. Cerca con Google

[145] Churmakov, D. Y.; Meglinski, I. V.; Piletsky, S. A.; Greenhalgh, D. A. J. Phys. D: Appl. Phys. 2003, 36, 1722. Cerca con Google

[146] Gomez, J. A.; Thompson, W. H. J. Phys. Chem. B 2004, 108, 20144. Cerca con Google

[147] Bhattacharyya, K.; Chowdhury, M. Chem. Rev. 1993, 93, 507. Cerca con Google

[148] Lippert, E.; LÄuder, W.; Moll, F.; Nagele, H.; Boos, H.; Prigge, H.; Siebold-Blankenstein, I. Angew. Chem. 1961, 73, 695. Cerca con Google

[149] Van Der Auweraer, M.; Vannerem, A.; De Schryver, F. C. J. Mol. Struct. 1982, 84, 343. Cerca con Google

[150] Sobolewski, A. L.; Domcke, W. Chem. Phys. Lett. 1996, 250, 428. Cerca con Google

[151] Kim, H. J.; Hynes, J. T. Photochem. Photobio. A:Chem 1997, 105, 337. Cerca con Google

[152] Grabowski, Z. R.; Rotkiewicz, K.; Rettig, W. Chem. Rev. 2003, 103, 3899. Cerca con Google

[153] Schamschule, R.; Parusel, A. B. J., KÖhler, G. J. Mol. Struct. (Theochem) 1997, 419, 161. Cerca con Google

[154] Mennucci; B.; Toniolo, A.; Tomasi, J. J. Am. Chem. Soc. 2000, 122, 10621. Cerca con Google

[155] Suldholt, W.; Sobolewski, A. L.; Domcke, W. Chem. Phys. 1999, 204, 9. Cerca con Google

[156] Nordio, P. L.; Polimeno, A.; Barbon, A. Polish. J. Chem. 1993, 67, 1397. Cerca con Google

[157] Kasha, M. Discuss. Faraday Soc. 1950, 9, 14. Cerca con Google

[158] Rappoport, D.; Furche, F. J. Am. Chem. Soc. 2004, 126, 1277. Cerca con Google

[159] Rattig, W.; Baumann, W. Photoche. Photophys. 1992, 6, 79. Cerca con Google

[160] Al-Hassan, K. A.; Khanfer, M. F. J. Fluoresc. 1998, 8, 139. Cerca con Google

[161] LaClair, J. J. Angew. Chem., Int. Ed. 1998, 37, 325. Cerca con Google

[162] LaClair, J. J. Angew. Chem., Int. Ed. 1999, 38, 3045. Cerca con Google

[163] Bautista, J. A.; Connors, R. E.; Raju, B. B.; Hiller, R. G.; Sharples, F. P.; Cerca con Google

Gosztola, D.; Wasielewski, M. R.; Frank, H. A. J. Phys. Chem. B 1999, 103, 8751. Cerca con Google

[164] Zigmantas, D.; Hiller, R. G.; Yarysev, A.; SundstrÖm, V.; Polivka, T. J. Phys. Chem. B 2003, 107, 5339. Cerca con Google

[165] Grabowski, Z. R. Pure Appl. Chem. 1992, 64, 1249. Cerca con Google

[166] Nakashima, N.; Inoue, H.; Mataga, N.; Yamanaka, Y. Bull. Chem. Soc. Jnp. 1973, 46, 2288. Cerca con Google

[167] Kosower, E. M.; Dodiuk, H. J. Am. Chem. Soc. 1976, 98, 924. Cerca con Google

[168] chandross, E. A.; Thomas, H. T. Chem. Phys. Lett. 1971, 9, 397. Cerca con Google

[169] Nordio, P. L.; Polimeno, A. Mol. Phys. 1992, 75, 1203. Cerca con Google

[170] Polimeno, A.; Saielli, G.; Nordio, P. L. Chem. Phys. 1998, 235, 313. Cerca con Google

[171] Moro, G. J.; Nordio, P. L.; Polimeno, A. Chem. Phys. 1989, 68, 1131. Cerca con Google

[172] Giacometti, G.; Moro, G. J.; Nordio, P. L.; Polimeno, A. J. Mol. Liq. 1989, 42, 19. Cerca con Google

[173] Polimeno, A.; Barbon, A.; Nordio, P. L.; Rettig, W. J. Phys. Chem. 1994, 98, 12158. Cerca con Google

[174] Xu, X.; Cao, Z.; Zhang, Q. J. Chem. Phys. 2005, 122, 194395. Cerca con Google

[175] Van Der Auweraer, M.; Grabowski, Z. R.; Rettig, W. J. Phys. Chem. 1991, 95, 2083. Cerca con Google

[176] Von Der Haar, T.; Hebecker, A.; Il'chev, Y.; Jiang, Y. B.; KÖhne, W.; Zachariasse, K. A. Recl. Trav. Chim. Pays-Bas 1995, 114, 430. Cerca con Google

[177] Collins, G. E.; Choi, L. S.; Callahan, J. H. J. Am. Chem. Soc. 1998, 120, 1474. Cerca con Google

[178] Choi, L. S.; Collins, G. E. Chem. Comm. 1998, 8, 893. Cerca con Google

[179] De Lange, M. M. C.; Leeson, D. T.; Van Kuijk, K. A. B.; Huizer, A. H.; Varma, C. A. G. O. Chem. Phys. 1993, 177, 43. Cerca con Google

[180] Letard, J. F.; Delmond, S.; Lapouyade, R.; Braun, D.; Rettig, W.; Kressler, M. Recl. Trav. Chem. Pays-Bas 1995, 14, 517. Cerca con Google

[181] Zare, R. N. Angular Momentum: Understanding Spatial Aspect in Chemistry and Physics, John Wiley and Sons, New York 1988. Cerca con Google

[182] Moro, G. Chem. Phys. 1987, 118, 167. Cerca con Google

[183] Moro, G. Chem. Phys. 1987, 118, 181. Cerca con Google

[184] Adamo, C.; Barone, V. J. Chem. Phys. 1999, 110, 6158. Cerca con Google

[185] Bulliard, C.; Allan, M.; Wirtz, G.; Haselbach, E.; Zachariasse, K. A. J. Phus. Chem. A 1999, 103, 7766. Cerca con Google

[186] Quinones, E.; Ishikawa, Y.; Leszczynski, J. J. Mol. Struct. (Theochem) 2000, 529, 127. Cerca con Google

[187] Purkayastha, P.; Bhattacharyya, P. K.; Bera, S. C.; Chattopadhyay, N. Phys. Chem. Chem. Phys. 1999, 105, 4182. Cerca con Google

[188] Tomin, V. I.; Brozis, M. Optic. Spectr. 2005, 100, 546. Cerca con Google

[189] Parusel, A. B. J.; Rettig, W.; Sudholt, W. J. J. Phys. Chem. A 2002, 106, 804. Cerca con Google

[190] Lommatzsch, U.; Brutschy, B. Chem. Phys. 1998, 234, 35. Cerca con Google

[191] Foreman, J. B.; Head-Gordon, M.; Pople, J. A.; Frisch, M. J. J. Phys. Chem. 1992, 96, 135. Cerca con Google

[192] Cogan, S.; Zilberg, S.; Haas, Y. J. Am. Chem. Soc. 2006, 128, 3335. Cerca con Google

[193] Chiba, M.; Tsuneda, T.; Hirao, K. J. Chem. Phys. 2007, 126, 034504. Cerca con Google

[194] Parusel, A. B. J. Phys. Chem. Chem. Phys. 2000, 2, 5545. Cerca con Google

[195] Scalmani, G.; Frisch, M. J.; Mennucci, B.; Tomasi, J.; Cammi, R.; Barone, V. J. Chem. Phys. 2006, 124, 094107/1. Cerca con Google

[196] Wanko, M.; Garavelli, M.; Bernardi, F.; Niehaus, T. A.; Frauenheim, T.; Elstner, M. J. Chem. Phys. 2004, 120, 1674. Cerca con Google

[197] Tozer, D. J.; Amos, R. D.; Handy, N. C.; Roos, B. O.; Serrano-Andres, L. Mol. Phys. 1999, 97, 859. Cerca con Google

[198] Dreuw, A.; Weisman, J. L.; Head-Gordon, M. J. Chem. Phys. 2003, 119, 2943. Cerca con Google

[199] Dreuw, A.; Head-Gordon, M. J. Am. Chem. Soc. 2004, 126, 4007. Cerca con Google

[200] Burkw, K.; Werschnik, J.; Gross, E. K. U. J. Chem. Phys. 2005, 123, 622006. Cerca con Google

[201] Gritsenko, O.; Baerends, E. J. J. Chem. Phys. 2004, 121, 655. Cerca con Google

[202] Tawada, Y.; Tsuneda, T.; Yanagisawa, S.; Yanai, T.; Hirao, K. J. Chem. Phys. 2004, 120, 8425. Cerca con Google

[203] Maitra, N. T.; Zhang, F.; Cave, R. J.; Burke, K. J. Chem. Phys. 2004, 120, 5932. Cerca con Google

[204] Maitra, N. T. J. Chem. Phys. 2005, 122, 234104. Cerca con Google

[205] Adamo, C.; Scuseria, G. E.; Barone, V. J. Chem. Phys. 2000, 111, 2889. Cerca con Google

[206] Improta, R.; Barone, V. J. Am. Chem. Soc. 2004, 126, 14320. Cerca con Google

[207] Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265. Cerca con Google

[208] Dunning, T. H. Jr J. Chem. Phys. 1989, 90, 1007. Cerca con Google

[209] Petersson, G. A.; Al-Laham, M. A.J. Chem. Phys. 1991, 94, 6081. Cerca con Google

[210] Serrano-Andres, L.; Merchan, M.; Roos, B. O.; Lindh, R. J. Am. Chem. Soc. 1995, 117, 3198. Cerca con Google

[211] Parusel, A. B. J.; KÖhler, G.; Nooijen, M. J. Phys. Chem. A 1999, 103, 4056. Cerca con Google

[212] Jamorski, C.; Foresman, J. B.; Thilgen, C.; LÄuthi, H. P. J. Chem. Phys. 2002, 116, 8761. Cerca con Google

[213] Lippert, E.; Rettig, W.; Bona·cic-Koutecky, V.; Heisel, F.; Miehe, J. A. Adv. Chem. Phys. 1987, 68, 1. Cerca con Google

[214] Handbook of Chemistry and Physics, 64 th Edition; CRC Press, Boca Raton, Florida 1983. Cerca con Google

[215] Horng, M. L.; Gardecki, J. A.; Papazyan, A.; Maroncelli, M. J. Phys. Chem. 1995, 99, 17311. Cerca con Google

[216] Horng, M. L.; Dahl, K.; Jones, G.; Maroncelli, M. Chem. Phys. Lett. 1999, 315, 363. Cerca con Google

[217] Schuddeboom, W.; Jonker, S. A.; Warman, J. M; Leinhos, U.; Kühnle, W.; Zachariasse, K. A. J. Phys. Chem. 1992, 96, 10809. Cerca con Google

[218] Murali, S.; Kharlanov, V.; Rettig, W.; Tolmachev, A. I.; Kropachev, A. V. J. Phys. Chem. A 2005, 109, 6420. Cerca con Google

[219] Haidekker, M. A.; Brady, T. P.; Lichlyter, D.; Theodorakis, E. A. Bioorg. Chem. 2005, 33, 415. Cerca con Google

[220] Leinhos, U.; KÄuhnle, W.; Zachariasse, K. A. J. Phys. Chem. 1991, 95, 2013. Cerca con Google

[221] Parusel, A. B. J.; KÖhler, G.; Grimme, S. J. Phys. Chem. A 1998, 102, 6207. Cerca con Google

[222] Broo, A.; Zerner, M. C. Theor. Chim. Acta 1995, 90, 383. Cerca con Google

[223] Broo, A.; Zerner, M. C. Chem. Phys. Lett. 1994, 227, 551. Cerca con Google

[224] Fuß, W.; Pushpa, K. K.; Rettig, W.; Schmid, W. E.; Trushin, S. A. Photochem. Photobiol. Sci. 2002, 1, 255. Cerca con Google

[225] Freidzon, A. Ya.; Bagatur0yants, A. A.; Gromov, S. P.; Alfimov, M. V. Russ. Chem. Bull. Int. Ed. 2003, 52, 2646. Cerca con Google

[226] Avakyan, V. G.; Gromov, S. P.; Vedernikov, A. I.; Dmitrieva, S. M.; Alfimov, M. V. Russ. Chem. Bull. Int. Ed. 2004, 53, 24. Cerca con Google

[227] LÖhr, H. G.; VÖgtle, F. Acc. Chem. Res. 1985, 18, 65. Cerca con Google

[228] Dumon, P.; Jousauskas, G.; Dupuy, F.; Pee, Ph.; Rulliere, C.; Letard, J. F.; Lapoyade, R. J. Phys. Chem. 1994, 98, 10391. Cerca con Google

[229] Collins, G. E.; Choi, L. S. Chem. Comm. 1997, 12, 1135. Cerca con Google

[230] Czarnik, A. M. Fluorescence Chemosensor for Ions and Molecule Recognition, vol. 538, ACS Books: Washington DC 1993. Cerca con Google

[231] Barone, V.; Polimeno, A. Phys. Chem. Chem. Phys. 2006, 8, 4609. Cerca con Google

[232] Barone, V. J. Chem. Phys. 1994, 101, 6834. Cerca con Google

[233] Barone, V. J. Chem. Phys. 1994, 101, 10666. Cerca con Google

[234] Malkina, O. L.; Vaara, J.; Schimmelpfenning, J. B.; Munzarova, M. L.; Malkin, V. G.; Kaupp, M. J. J. Am. Chem. Soc. 2000, 122, 9206. Cerca con Google

[235] Neese, F. J. Chem. Phys. 2001, 115, 11080. Cerca con Google

[236] Van Doorslaer, S.; Vinck, E. Phys. Chem. Chem. Phys. 2007, 9, 4620. Cerca con Google

[237] White, G. F.; Ottignon, L.; Georgiuu, T.; Kleanthous, C.; Moore, G. R.; Thomson, A. J.; Oganesyan, V. S. J. Mag. Res. 2007, 185, 191. Cerca con Google

[238] Jeschke, G.; Polyhach, Y. Phys. Chem. Chem. Phys. 2007, 9, 1895. Cerca con Google

[239] Gamliel, D.; Levanon, H. Stochastic Processes in Magnetic Resonance, World Scientific, 1995. Cerca con Google

[240] Berliner, L. J. Biological Magnetic resonance: The Next Millenium, Springer 1998. Cerca con Google

[241] Langen, R.; Oh, K. J.; Cascio, D.; Hubbell, W. L. Biochemistry 2000, 59, 8396. Cerca con Google

[242] Mchaourab, H. S.; Lietzow, M. A.; Hideg, K.; Hubbell, W. L. Biochemistry 1996, 35, 7692. Cerca con Google

[243] Hubbell, W. L.; Cafiso, D. S.; Altenbach, C. Nat. Struct. Biol. 2000, 7, 735. Cerca con Google

[244] Koteiche, H. A.; Berengian, A. R.; Mchaourab, H. S. Biochemistry 1998, 37, 12681. Cerca con Google

[245] Hubbell, W. L.; Altenbach, C. Curr. Opt. Struct. Biol. 1994, 4, 566. Cerca con Google

[246] Hubbell, W. L.; Mchaourab, H. S.; Altenbach, C.; Lietzow, M. A. Structure 1996, 4, 779. Cerca con Google

[247] Altenbach, C.; Marti, T.; Khorana, H. G.; Hubbell, W. L. Science 1990, 248,1088. Cerca con Google

[248] Shin, Y.-K.; Hubbell, W. L. Biophys. J. 1992, 61, 1443. Cerca con Google

[249] Anthony-Cahill, S. J.; Benfield, P. A.; Fairman, R.; Wasserman, Z. R.; Brenner, S. L.; Stafford, W. F.; Altenbach, C.; Hubbell, W. L.; De Grado, W. F. Science 1992, 255, 979. Cerca con Google

[250] Kokorin, A. I. Appl. Magn. Res. 2004, 26, 253. Cerca con Google

[251] Sartori, E.; Corvaja, C.; Oancea, S.; Formaggio, F.; Crisma, M.; Toniolo, C. ChemPhysChem. 2005, 6, 1472. Cerca con Google

[252] Hanson, P.; Martinez, G.; Millhauser, G.; Formaggio, F.; Crisma, M.; Toniolo, C.; Vita, C. J. Am. Chem. Soc. 1996, 118, 271. Cerca con Google

[253] Hanson, P.; Millhauser, G.; Formaggio, F.; Crisma, M.; Toniolo, C.; J. Am. Chem. Soc. 1996, 118, 7618. Cerca con Google

[254] Toniolo, C.; Benedetti, E. Trends Biochem. Sci. 1991, 16, 350. Cerca con Google

[255] Toniolo, C.; Crisma, M.; Formaggio, F. Biopolymers 1998, 47, 153. Cerca con Google

[256] Karle, I. L.; Balaram, P. Biochemistry 1990, 29, 6747. Cerca con Google

[257] Toniolo, C.; Crisma, M.; Formaggio, F.; Peggion, C. Biopolymers 2001, 60, 396. Cerca con Google

[258] Flippen-Anderson, J. L.; George, C.; Valle, G.; Valente, E.; Bianco, A.; Formaggio, F.; Crisma, M.; Toniolo, C. Int. J. Pept. Protein Res. 1996, 47, 231. Cerca con Google

[259] Polimeno, A.; Freed, J. H. J. Phys. Chem. 1995, 99, 10995. Cerca con Google

[260] Carpino, L. A. J. Am. Chem. Soc. 1993, 115, 4397. Cerca con Google

[261] Schneider, D. J.; Freed, J. H. Adv. Chem. Phys. 1989, 73, 487. Cerca con Google

[262] Meirovitch, E.; Igner, D.; Igner, E.; Moro, G.; Freed, J. H. J. Chem. Phys. 1982, 77, 3915. Cerca con Google

[263] Ciofini, I.; Barone, V.; Adamo, C. J. Chem. Phys. 2004, 121, 6710. Cerca con Google

[264] Improta, R.; Barone, V. J. Comp. Chem. 2004, 25, 1333. Cerca con Google

[265] Cossi, M.; Scalmani, G.; Rega, N.; Barone, V. J. Comp. Chem. 2003, 24, 669. Cerca con Google

[266] D'Amore, M.; Improta, R.; Barone, V.J. Phys. Chem. A 2003, 107, 6264. Cerca con Google

[267] Improta, R.; Antonello, S.; Formaggio, F.; Maran, F.; Rega, N.; Barone, V. J. Phys. Chem. B 2005, 109, 1023. Cerca con Google

[268] Marsh, D. J. Magn. Spectr. 2006, 180, 305. Cerca con Google

[269] Improta, R.; Barone, V. Chem. Rev. 2004, 104, 1231. Cerca con Google

[270] O'Malley, P. J. J. Phys. Chem. B 2002, 106, 12331. Cerca con Google

[271] Mattar, S. M. J. Phys. Chem. B 2004, 108, 9449. Cerca con Google

[272] Hermosilla, L.; Calle, P.; Garcia de la Vega, J. M.; Siero, C. J. Phys. Chem. A 2005, 109, 1114. Cerca con Google

[273] Gauld, J. W.; Eriksson, L. A.; Radom, L. J. Phys. Chem. A 1997, 101, 1352. Cerca con Google

[274] Munzarova, M.; Kaupp, M. J. Phys. Chem. A 1999, 103, 9966. Cerca con Google

[275] Al Derzi, A. T.; Fan, S.; Bartlett, R. J. J. Phys. Chem. A 2003, 107, 6656. Cerca con Google

[276] Bencini, A.; Totti, F.; Daul, C. A.; Doclo, K.; Fantucci, P.; Barone, V. Inorg. Chem. 1997, 36, 5022. Cerca con Google

[277] Improta, R.; Barone, V.; Kudin, K.; Scuseria, G. E. J. Am. Chem. Soc. 2002, 124, 113. Cerca con Google

[278] Yawada, Y.; Tsuneda, T.; Yanagisawa, S.; Yanai, T.; Hirao, K. J. Chem. Phys. 2004, 120, 8425. Cerca con Google

[279] Kamiya, M.; Sekino, H.; Tsuneda, T.; Hirao, K. J. Chem. Phys. 2005, 122, 234111. Cerca con Google

[280] Reviakine, R.; Arbuznikov, A. V.; Tremblay, J. C.; Remenyi, C.; Malkina, O. L.; Malkin, V. G.; Kaupp, M. J. Chem. Phys. 2006, 125, 054110. Cerca con Google

[281] Zheludev, A.; Barone, V.; Bonnet, M.; Delley, B.; Grand, A.; Ressouche, E.; Rey, P.; Subra, R.;Schweizer, J. J. Am. Chem. Soc. 1994, 116, 2019. Cerca con Google

[282] Koch, W.; Holthousen, W. C. A. Chemist'sGuide to Density Functional Theory, Wiley-VCH: Weinheim 2000. Cerca con Google

[283] Tomasi, J.; Mannucci, B.; Cammi, R. Chem. Rev. 2005, 105, 2999. Cerca con Google

[284] Brancato, G.; Rega, N.; Barone, V. J. Chem. Phys. 2006, 125, 164515. Cerca con Google

[285] Gustavson, T.; Banyasz, A.; Lazzarotto, E.; Markovitsi, D.; Scalmani, G.; Frisch, M.; Improta, R.; Barone, V. J. Am. Chem. Soc. 2006, 128, 607. Cerca con Google

[286] Improta, R.; Santoro, F.; Barone, V. Theor. Chem. Acc. 2007, 117, 1073. Cerca con Google

[287] Improta, R.; Barone, V.; Santoro, F. Angew. Chem. Int. Ed. 2007, 46, 405. Cerca con Google

[288] Santoro, F.; Improta, R.; Lami, A.; Bloino, J.; Barone, V. J. Chem. Phys. 2007, 126, 084509. Cerca con Google

[289] Brancato, G.; Rega, N.; Barone, V. Theor. Chem. Acc. 2007, 117, 1001. Cerca con Google

[290] Barone, V.; Brustolon, M.; Cimino, P.; Polimeno, A.; Zerbetto, M.; Zoleo, A. J. Am. Chem. Soc. 2006, 128, 15865. Cerca con Google

[291] Zerbetto, M.; Carlotto, S.; Polimeno, A.; Corvaja, C.;Franco, L.; Toniolo, C.; Formaggio, F.; Barone, V.; Cimino, P. J. Chem. Phys. B 2007, 111, 2668. Cerca con Google

[292] Carlotto, S.; Cimino, P.; Zerbetto, M.; Franco, L.; Corvaja, C.; Crisma, M.; Formaggio, F.; Toniolo, C.; Polimeno, A.; Barone, V.; J. Am. Chem. Soc. 2007, 129, 11248. Cerca con Google

[293] Stainhoff, H. J. Frontiers in Bioscience 2002, 7, 97. Cerca con Google

[294] Eaton, S. S.; Eaton, G. R. Biological Magnetic Resonance, Berliner, L. J., Eaton, S. S:, Eaton, G. R., Eds.; Kluwer Academic/Plenum Publisheres: New York 2000, vol. 19, pp 2-28. Cerca con Google

[295] Tsvetkov, Yu. D. Biological Magnetic Resonance, Berliner, L. J., Eaton, S. S:, Eaton, G. R., Eds.; Kluwer Academic/Plenum Publisheres: New York 2004, vol. 21, pp 385-433. Cerca con Google

[296] Jeske, G.; Pannier, M.; Spiess, H. W. Biological Magnetic Resonance, Berliner, L. J., Eaton, S. S:, Eaton, G. R., Eds.; Kluwer Academic/Plenum Publisheres: New York 2000, vol. 19, pp 493-512. Cerca con Google

[297] Borbat, P. P.; Freed, J. F. Biological Magnetic Resonance, Berliner, L. J., Eaton, S. S:, Eaton, G. R., Eds.; Kluwer Academic/Plenum Publisheres: New York 2000, vol. 19, pp 383-460. Cerca con Google

[298] Crisma, M.; Deschamps, J. R.; George, C.; Flippen-Anderson, J. L.; Kaptein, B.; Broxterman, Q. B.; Moretto, A.; Oancea, S.; Jost, M.; Formaggio, F.; Toniolo, C. J. Pept. Res. 2005, 65, 564. Cerca con Google

[299] Barlow, D. J.; Thornton, J. M. J. Mol. Biol. 1988, 201, 601. Cerca con Google

[300] Armen, R., Alonso, D. O. V.; Daggett, V. Protein Sci. 2003, 12, 1145. Cerca con Google

[301] Bolin, K. A.; Millhauser, G. L. Acc. Chem. Res. 1999, 32, 1027. Cerca con Google

[302] Smythe, M. L.; Huston, S. E.; Marshall, G. R. J. Am. Chem. Soc. 1995, 117, 5445. Cerca con Google

[303] Smythe, M. L.; Nakaie, C. R.; Marshall, G. R. J. Am. Chem. Soc. 1995, 117, 10555. Cerca con Google

[304] Millhauser, G. L. Biochemistry 1995, 34, 3873. Cerca con Google

[305] Marshall, G. R., Hodgkin, E. E.; Langs, D. A.; Smith, G. D.; Zabrocki, J.; Leplawy, M. T. Proc. Natl. Acad. Sci. USA 1990, 87, 487. Cerca con Google

[306] Smythe, M. L.; Huston, S. E., Marshall, G. R. J. Am. Chem. Soc. 1993, 115, 11594. Cerca con Google

[307] Fiori, W. R.; MÄuck, S. M.; Millhauser, G. L. Biochemistry 1993, 32, 11957. Cerca con Google

[308] Marqusee, S.; Robbins, V. H.; Baldwin, R. L. Proc. Natl. Acad. Sci. USA 1989, 86, 5286. Cerca con Google

[309] Karle, I. L.; Sukmar, M. K.; Balaram, P. Proc. Natl. Acad. Sci. USA 1986, 83, 9284. Cerca con Google

[310] Karle, I. L.; Flippen-Anderson, J.; Uma, K.; Balaram, P. Proc. Natl. Acad. Sci. USA 1988, 85, 299. Cerca con Google

[311] Zhang, L.; Hermans, J. J. Am. Chem. Soc. 1994, 116, 11915. Cerca con Google

[312] Paterson, Y., Rumsey, S.; Benedetti, E.; Nemethy, G.; Scheraga, H. A. J. Am. Chem. Soc. 1981, 103, 2947. Cerca con Google

[313] Cremer, D.; Pople, J. A. J. Am. Chem. Soc. 1975, 97, 1354. Cerca con Google

[314] Improta, R.; Benzi, C.; Barone, V. J. Am. Chem. Soc. 2001, 123, 12568. Cerca con Google

[315] Improta, R., Mele, F.; Crescenzi, O.; Benzi, C.; Barone, V. J. Am. Chem. Soc. 2002, 124, 7857. Cerca con Google

[316] Langella, E.; Improta, R.; Barone, V. J. Am. Chem Soc. 2002, 124, 11531. Cerca con Google

[317] Cossi, M.; Scalmani, G.; Rega, N.; Barone, V. J. Chem. Phys. 2002, 117, 43. Cerca con Google

[318] Grimme, S. J. Comput. Chem. 2004, 25, 1463. Cerca con Google

[319] Barone, V.; Carbonniere, P.; Pouchan, C. J. Chem. Phys. 2005, 122, 224308. Cerca con Google

[320] Lucarini, M.; Pedulli, G. F. Phys. Rep. 2001, 351, 387. Cerca con Google

[321] Aurich, H. G.; Hahn, K.; Stork, K.; Weiss, W. Tetrahedron 1977, 33, 369. Cerca con Google

[322] Barone, V. J. Phys. Chem. 1995, 99, 11659. Cerca con Google

[323] Barone, V.; Subra, R. J. Chem. Phys. 1996, 104, 2630. Cerca con Google

[324] Barone, V. Chem. Phys. Lett. 1996, 262, 201. Cerca con Google

[325] Bellanda, M.; Mammi, S.; Geremia, S.; Demitri, N.; Randaccio, L.; Broxterman, Q. B.; Kaptein, B.; Pengo, P.; Pasquato, L.; Scrimin, P. Chem.-Eur. J. 2007, 13, 407. Cerca con Google

[326] Stark, H. Phys. Rep. 2001, 351, 387. Cerca con Google

[327] Poulin, P.; Raghunathan, V. A:; Richetti, P.; Roux, D. J. Phys. II 1994, 4, 1557. Cerca con Google

[328] Terentien, E. M. Phys. Rev. E 1995, 51, 1330. Cerca con Google

[329] Stark, H. Eur. Phys. J. B 1999, 10, 311. Cerca con Google

[330] Loudet, J. C.; Barois, P.; Poulin, P. Nature 2000, 407, 611. Cerca con Google

[331] Klein, R. Interacting Brownian Particles-The dynamics of Colloidal Suspension in the Physycs of Complex Systems, edited F. Mallamace and H. E. Stanley, IOS Press, Amsterdam 1997. Cerca con Google

[332] Sanyal, S.; Sood, A. K.; Ramkumar, S.; Ramaswamy, S.; Kumar, N. Phys. Rev. Lett. 1994, 72, 2963. Cerca con Google

[333] Russel, W. B.; Saville, D. A.; Schowalter, W. R. Colloidal Dispersions, Cambridge University Press, Cambridge 1995. Cerca con Google

[334] Brochard, F.; de Gennes, P. G. J. Phys. (Paris)1970, 31, 691. Cerca con Google

[335] BÖttger, A.; Frenkel, D.; van de Riet, E. Liq. Cryst. 1987, 2, 539. Cerca con Google

[336] Poulin, Stark, H.; Lubensky, T. C.; Weitz, D. A. Science 1997, 257, 1770. Cerca con Google

[337] Stewart, I. W. The Static and the Dynamic Continuum Theory of Liquid Crystals, CRC Press 2004. Cerca con Google

[338] Currie, P. K. J. Phys. (France) 1979, 501, 40. Cerca con Google

[339] Pieranski, P.; Brochard, F.; Guyon, E. J. Phys. (France) 1973, 34, 35. Cerca con Google

[340] Diogo, A.C. Mol. Cryst. Liq. Cryst. 1983, 30, 153. Cerca con Google

[341] Franklin, W. Mol. Cryst. Liq. Cryst. 1971, 14, 227. Cerca con Google

[342] Franklin, W. Phys. Rev. A 1975, 11, 2156. Cerca con Google

[343] Khare, A. A., Kofke, D. A., Evans, G. T. Mol. Phys. 1997, 91, 993. Cerca con Google

[344] Lettinga, M. P.; Barry, E.; Dogic, Z. Europhys. Lett. 2005, 71, 692. Cerca con Google

[345] Yun, C. K., Frerickson, A. G. Mol. Cryst. Liq. Cryst. 1971, 12, 73. Cerca con Google

[346] Moseley, M. E.; Loewenstein, A. Mol. Cryst. Liq. Cryst. 1982, 90, 117. Cerca con Google

[347] Moseley, M. E.; Loewenstein, A. Mol. Cryst. Liq. Cryst. 1983, 95, 51. Cerca con Google

[348] Krüger, G. J. Phys. Rep. 1982, 82, 229. Cerca con Google

[349] Spiegel, D. R.; Thompson, A. L.; Campbell, W. C. J. Chem. Phys. 2001, 114, 3842. Cerca con Google

[350] de Gennes, P. G.; Prost, J. The Physics of Liquid Crystals, Oxford University Press 1993. Cerca con Google

[351] Friedel, G. Ann. Phys. 1922, 18, 273. Cerca con Google

[352] Bird, R. B.; Stewart, W E.; Lightfoot, E. N. Transport Phenomena, Wiley 1960. Cerca con Google

[353] Currie, I. G. Fundamental Mechanic of Fluids, McGraw-Hill 1993. Cerca con Google

[354] Lamb, H. Hydrodynamics, Dover 1945. Cerca con Google

[355] Leslie, F. M. Qaunt. J. Mech. Appl. Math. 1966, 19, 357. Cerca con Google

[356] Leslie, F. M. Adv. Liq. Cryst. 1979, 4, 1. Cerca con Google

[357] Ericksen, J. L. Trans. Soc. Rheol. 1961, 5, 23. Cerca con Google

[358] Ericksen, J. L. Adv. Liq. Cryst. 1976, 2, 233. Cerca con Google

[359] Polimeno, A.; Orian, L.; Martins, A. F.; Gomes, A. E. Phys. Rev. E 2000, 62, 2288. Cerca con Google

[360] Polimeno, A.; Orian, L.; Nordio, P. L.; Martins, A. F.Mol. Cryst. Liq. Cryst. 1999, 336, 17. Cerca con Google

[361] Polimeno, A.; Martins, A. F.; Nordio, P. L.Mol. Cryst. Liq. Cryst. 1999, 328, 541. Cerca con Google

[362] Polimeno, A.; Martins, A. F. Liq. Cryst. 1998, 25,545. Cerca con Google

[363] Martins, A. F.; Gomes, A. E.; Orian, L.; Polimeno, A. Mol. Cryst. Liq. Cryst. 2000, 351, 135. Cerca con Google

[364] Einstein, A. Investigation on the Theory of the Brownian Movement, R. Furth 1956. Cerca con Google

[365] Bhide, V. G.; Kandpal, M. C. Phys. Rev. B 1979, 20, 85. Cerca con Google

[366] Stark, H.; Ventzki, D. Phys. Rev. E 2001, 64, 031711. Cerca con Google

[367] Loudet, J. C.; Hanusse, P.; Poulin, P. Science 2004, 306, 1525. Cerca con Google

[368] Martins, A. F. Private Comunication. Cerca con Google

[369] Tseng, H. C.; Silver, D. L.; Finlayson, B. A. Phys. Fluids 1972, 15, 1213. Cerca con Google

[370] Borzsonyi, T.; Buka, A.; Krekhov, P. A.; Kramer, L. Phys. Rev. E 1998, 58, 7419. Cerca con Google

[371] Silverstone, H. J.; Moats, R. K. Phys. Rev. A 1977, 4, 1731. Cerca con Google

[372] Silverstone, H. J. J. Chem. Phys. 1967, 47, 537. Cerca con Google

[373] Varshalovich, D. S.; Moskalev, N. A.; Khersonskii, W. K. Quantum Theory of Angular Momentum, Worlod Scientific 1988. Cerca con Google

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