Istituto per i Processi Chimico-Fisici, CNR, Area della Ric. del Via Moruzzi, 1, Pisa 56124, Italy
Dipartimento di Chimica, Università Federico II, Complesso Monte S. Angelo, via Cintia, Napoli 80126, Italy
Istituto di Biostrutture e Bioimmagini, CNR, via Mezzocannone 16, Napoli 80134, Italy
References: (1998) Structure and dynamics of electronic excited states, , Laane J, Takahashi H, Bandrauk AD eds, Springer, Berlin Heidelberg New Yor
(1995) Excited states and photo-chemistry of organic molecules VCH, , Klessinger M, MichlJ eds, New York
Wang, C.H., (1985) Spectroscopy of condensed media, , Academic, New York
Fleming, G.R., (1986) Chemical applications of ultrafast spectroscopy, , Oxford University, New York
Assion, A., Baumert, T., Bergt, M., Brixner, T., Kiefer, B., Seyfried, W., Strehle, M., Gerber, G., (1998) Science, 282, p. 919
Olivucci M, Sinicropi A (2005) Computational photochemistry In: Olivucci M (ed) Computational photochemistry, 16. Elsevier, AmsterdamDreuw, A., Head-Gordon, M., (2005) Chem Rev, 105, p. 4009
Andersson, K., Roos, B.O., (1995) Modern electronic structure theory, 1, p. 55. , Yarkony ed, World Scientific, New York, p
Lami, A., Villani, G., Theor Chem Acc, , this issue
Miller, W.H., (2001) J Phys Chem A, 105, p. 2942
Beck, H., Jäckle, A., Worth, G.A., Meyer, H.-D., (2000) Phys Rep, 324, p. 1
Granucci, G., Persico, M., Toniolo, A., (2001) J Chem Phys, 114, p. 10608
Olivucci, M., Lami, A., Santoro, F., (2005) Angew Chem, 44, p. 5118
Berger, R., Fischer, C., Klessinger, M., (1998) J Phys Chem A, 102, p. 7157
Grimme, S., (2004) Rev Comp Chem, 20, p. 153
Rodriguez-Garcia, V., Yagi, K., Hirao, K., Iwata, S., Hirata, S., (2006) J Chem Phys, 125, p. 014109
Burke, K., Werschnik, J., Gross, E.K.U., (2005) J Chem Phys, 123, p. 62206
Wanko, M., Hoffmann, M., Strodel, P., Koslowski, A., Thiel, W., Neese, F., Frauenheim, T., Elstner, M., (2005) J Phys Chem B, 109, p. 3606
Andruniow, T., Ferré, N., Olivucci, M., (2004) Proc Nat Acad Sci, 101, p. 17908
Sinicropi, A., Andruniow, T., Ferré, N., Basosi, R., Olivucci, M., (2005) J Am Chem Soc, 127, p. 11534
Toniolo, A., Olsen, S., Manohar, L., Martinez, T.T., (2004) Faraday Discuss, 127, p. 149
Bauernshmitt, R., Ahlrichs, R., (1996) Chem Phys Lett, 256, p. 454
Dreuw, A., Weisman, J.L., Head-Gordon, M., (2003) J Chem Phys, 119, p. 2943
Gritsenko O, Baerends EJ (2004) J Chem Phys 121:655 4L Tawada Y, Tsuneda T, Yanagisawa S, Yanai T, Hirao K (2004) J Chem Phys 120:8425Maitra, N.T., Zhang, F., Cave, R.J., Burke, K., (2004) J Chem Phys, 120, p. 5932
Maitra, N.T., (2005) J Chem Phys, 122, p. 234104
Carlotto, S., Ferrante, C., Maggini, M., Polimeno, A., Barone, V., Benzi, C., submittedAdamo, C., Barone, V., (1999) J Chem Phys, 110, p. 6158
Bulliard, C., Allan, M., Wirtz, G., Haselbach, E., Zachariasse, K.A., (1999) J Phys Chem A, 103, p. 7766
Rappoport, D., Furche, F., (2004) J Am Chem Soc, 126, p. 1277
Mennucci, B., Toniolo, A., Tomasi, J., (2000) J Am Chem Soc, 122, p. 10621
Serrano-Andrés L, Merchán M, Roos BO, Lindh R (1995) J Am Chem Soc 117:3.198Parusel, A.B.J., Köhler, G., Nooijen, M., (1999) J Phys Chem A, 103, p. 4056
Levy, M., Perdew, J.P., (1993) Phys Rev B, 48, p. 11638
Lieb, E.H., Oxford, S., (1981) Int J Quantum Chem, 19, p. 427
Improta, R., Benzi, C., Barone, V., (2001) J Am Chem Soc, 123, p. 12568
Improta, R., Mele, F., Crescenzi, O., Benzi, C., Barone, V., (2002) J Am Chem Soc, 124, p. 7857
Langella, E., Improta, R., Barone, V., (2002) J Am Chem Soc, 124, p. 11531
Zhao, Y., Truhlar, D.G., (2005) J Chem Theory Comput, 1, p. 415
Miertus, S., Scrocco, E., Tomasi, J., (1981) Chem Phys, 55, p. 117
Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem Rev, 105, p. 2999
Cossi, M., Barone, V., (2001) J Chem Phys, 115, p. 4708
Aguilar, M.A., (2001) J Phys Chem A, 105, p. 10393
Caricato, M., Ingrosso, F., Mennucci, B., Tomasi, J., (2005) J Chem Phys, 122, p. 154501
Caricato, M., Mennucci, B., Tomasi, J., Ingrosso, F., Cammi, R., Corni, S., Scalmani, G., (2006) J Chem Phys, 124, p. 124520
Gustavsson, T., Banyasz, A., Lazzarotto, E., Markovitsi, D., Scalmani, G., Frisch, M.J., Barone, V., Improta, R., (2006) J Am Chem Soc, 128, p. 607
Lami, A., Petrongolo, C., Santoro, F., (2004) Conical intersections, electronic structure, dynamics and spectroscopy, , Domcke W, Yarkony DR, Koppel H eds, World Scientific, Singapore
Cave, R.J., Newton, M.D., (1996) Chem Phys Lett, 249, p. 15
Fernandez, E., Blancafort, L., Olivucci, M., Robb, M.A., (2000) J Am Chem Soc, 122, p. 7528
Jolibois, F., Bearpark, M.J., Klein, S., Olivucci, M., Robb, M.A., (2000) J Am Chem Soc, 122, p. 5801
Blancafort, L., Jolibois, F., Olivucci, M., Robb, M.A., (2001) J Am Chem Soc, 123, p. 722
Sinicropi, A., Pischel, U., Basosi, R., Nau, W.M., Olivucci, M., (2000) Angew Chemie Int Ed, 39, p. 4582
Barone, V., Newton, M.D., Improta, R., (2006) J Phys Chem B, 110, p. 12632
Fantacci, S., Migani, A., Olivucci, M., (2004) J Phys Chem A, 108, p. 1208
Rohetgi-Mukherjee, K.R., Fundamentals of photo-chemistry (1978) Wiley Eastern Edited, , New Delhi
Hoffmann, M., Wanko, M., Strodel, P., Konig, P.H., Frauenheim, T., Schulten, K., Thiel, W., Elstner, M., (2006) J Am Chem Soc, 128, p. 10808
Grozema, F.C., Swart, M., Zijlstra, R.W.J., Piet, J.J., Siebbeles, L.D.A., van Duijnen, P.T., (2005) J Am Chem Soc, 127, p. 11019
Groenhof, G., Bouxin-Cademartory, M., Hess, B., de Visser, S.P., Berendsen, H.J.C., Olivucci, M., Mark, A.E., Robb, M.A., (2004) J Am Chem Soc, 126, p. 4228
Vreven, T., Byun, K.S., Komaromi, I., Dapprich, S., Montgomery Jr, J.A., Morokuma, K., Frisch, M.J., (2006) J Chem Theory and Comput, 2, p. 815
(1995) Excited states and photo-chemistry of organic molecules VCH, , Klessinger M, MichlJ eds, New York
Wang, C. H., (1985) Spectroscopy of condensed media, , Academic, New York
Fleming, G. R., (1986) Chemical applications of ultrafast spectroscopy, , Oxford University, New York
Miller, W. H., (2001) J Phys Chem A, 105, p. 2942
Beck, H., J ckle, A., Worth, G. A., Meyer, H. -D., (2000) Phys Rep, 324, p. 1
Casida, M. E., Jamorski, C., Casida, K. C., Salahub, D. R., (1998) J Chem Phys, 108, p. 4439
Stratmann, R. E., Scuseria, G. E., Frisch, M. J., (1998) J Chem Phys, 109, p. 8218
Guillemoles, J. F., Barone, V., Joubert, L., Adamo, C., (2002) J Phys Chem A, 105, p. 11354
Tozer, D. J., Amos, R. D., Handy, N. C., Roos, B. O., Serrano-Andres, L., (1999) Mol Phys, 97, p. 859
Maitra, N. T., (2005) J Chem Phys, 122, p. 234104
Serrano-Andr s L, Merch n M, Roos BO, Lindh R (1995) J Am Chem Soc 117: 3. 198Parusel, A. B. J., K hler, G., Nooijen, M., (1999) J Phys Chem A, 103, p. 4056
Lieb, E. H., Oxford, S., (1981) Int J Quantum Chem, 19, p. 427
Aguilar, M. A., (2001) J Phys Chem A, 105, p. 10393
Sharp, T. E., Rosenstock, H. M., (1964) J Chem Phys, 41, p. 3453
Frisch, M. J., (2005) G03 development version, (C02). , Gaussian Inc. USA
Marcus, R. A., (1956) J Chem Phys, 24, p. 4966
Marcus, R. A., (1982) Faraday Discuss Chem Soc, 74, p. 7
Marcus, R. A., Sutin, N., (1985) Biochim Biophys Acta, 811, p. 265
Cave, R. J., Newton, M. D., (1996) Chem Phys Lett, 249, p. 15
Grozema, F. C., Swart, M., Zijlstra, R. W. J., Piet, J. J., Siebbeles, L. D. A., van Duijnen, P. T., (2005) J Am Chem Soc, 127, p. 11019
Excited state properties of sizable molecules in solution: From structure to reactivity