UV-Visible Absorption and Emission Energies in Condensed Phase by PCM/TD-DFT Methods (199 views visite)
Comput Strateg For Spectrosc (ISSN: 9780-4704), 2011; N/D: 37-75.
Export to Esporta in BibTeX Export to Esporta in EndNote
Paper type Tipo di articolo: Book Chapter,
Impact factor: 0, 5-year impact factor Impact factor a 5 anni: 0
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84865507329&partnerID=40&md5=e989a5147fac5f0486630d87a30b984e
Keywords Parole chiave: Medium-Large, Emission Spectra, Pcm Td-Dft Methods, Uv-Vis Absorption,
Affiliations Affiliazioni:
*** IBB - CNR ***
CNR-Consiglio Nazionale delle Ricerche, Istituto Biostrutturee Bioimmagini, Via Mezzocannone 16I, I80134 Naples, Italy
References Riferimenti:
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Horbg, M. L., Gardecki, J. A., Papazyan, A., Maroncelli, M., (1995) J. Phys. Chem., 99, p. 17311
Lustres, L. P., Kovalenko, S. A., Mosquera, M., Senyushkina, T., Flasche, W., Ernsting, N. P., (2005) Angew. Chem. Int. Ed., 44, p. 5635
Christie, R. M., (1971) Colour Chemistry, , Royal Society of Chemistry, Cambridge
Gr tzel, M., (2009) Acc. Chem. Res., 42, pp. 1788-1798
Verma, S., Watt, G. M., Mai, Z., Hasan, T., (2007) Photochem. Photobiol., 83, p. 996
Roos, B. O., (1999) Acc. Chem. Res., 32, p. 137
Roos, B. O., Andersson, K., F lscher, M. P., Malmqvist, P. A., Serrano-Andres, L., Pierloot, K., Merch n, M., Multiconflgurational perturbation theory: Applications in electronic spectroscopy (1996) Adv. Chem. Phys., 93, p. 219
Casida, M. K., (1995), Recent Advances in Density Functional Methods, Part I, D. P. Chong, Ed., World Scientific, SingaporeBurke, K., Werschnik, J., Gross, E. K. U., (2005) J. Chem. Phys, 123, p. 62206
Buenker, R. J., Peyerimhoff, S. D., Bruna, P. J., (1981), p. 91. , Computational Theoretical Organic Chemistry, I. G. Csizmadia, R. Daudel, Eds., Reidel, Dordrecht, The NetherlandsGauss, J., (1998) Encyclopedia of Computational Chemistry, p. 615. , P. v. R. Schleyer, N. L. Clark, J. Gasteiger, H. F. Schaefer III, P. R. Schreiner, Eds., Wiley, Chichester
Bartlett, R. J., (1997) Modern Ideas in Coupled-Cluster Methods, , World Scientific, Singapore
H ttig, C., Weigend, F., (2000) J. Chem. Phys., 113, p. 5154
Krylov, A. I., (2008) Annu. Rev. Phys. Chem., 59, p. 433
Krylov, A. I., (2006) Acc. Chem. Res., 39, p. 8391
Sauer, S. P. A., Schreiber, M., Silva-Junior, M. R., Thiel, W., (2009) J. Chem. Theory Comput., 5, p. 555
Cramer, C. J., (2002) Essentials of Computational Chemistry, , Wiley, Hoboken, NJ
K hn, A., H ttig, C., (2003) J. Chem. Phys., 119, p. 5021
Caillie, C. V., (1999) R. D. Amos Chem. Phys. Lett., 308, p. 249
Caillie, C. V., (2000) R. D. Amos Chem. Phys. Lett., 317, p. 159
Marian, C. M., Gilka, N., (2008) J. Chem. Theoret. Comp., 4, p. 1501
Gross, E. K. U., Dreizler, R. M., (1995) Density Functional Theory, , Springer, Berlin
Stratmann, R. E., Scuseria, G. E., Frisch, M. J., (1998) J. Chem. Phys., 109, p. 8218
Tozer, D. J., Amos, R. D., Handy, N. C., Roos, B. O., Serrano-Andres, L., (1999) Mol. Phys., 97, p. 859
Maitra, T. N., Zhang, F., Cave, R. J., Burke, K., (2004) J. Chem. Phys., 120, p. 5932
Maitra, N. T., (2005) J. Chem. Phys., 122, p. 234104
Vydrov, O. A., Scuseria, G. E., (2006) J. Chem. Phys., 125, p. 234109
Rohrdanz, M. A., Martins, K. M., Herbert, J. M., (2009) J. Chem. Phys., 130, p. 054112
Becke, A. D., (1988) Phys. Rev., 38, pp. 3098-3100
Perdew, J. P., Burke, K., Ernzerhof, M., (1996) Phys. Rev. Lett., 77, p. 3865
Boese, A. D., Handy, N. C., (2001) J. Chem. Phys., 114, p. 5497
Becke, A. D., (1993) J. Chem. Phys., 98, p. 5648
Ghosh, S. K., Parr, R. G., (1986) Phys. Rev., 34, p. 785
Tau, J., Perdew, J. P., Staroverov, V. N., Scuseria, E., (2003) Phys. Rev. Lett., 91, p. 146401
Lieb, E. H., Oxford, S., (1981) Int. J. Quantum Chem., 19, p. 427
Baerends, E. J., Ricciardi, G., Rosa, A., van Gisbergen, S. J. A., (2002) Coord. Chem. Rev., 230, p. 5
Middleton, C. T., de La Harpe, K., Su, C., Law, Y. K., Crespo-Hernadez, C., Kohler, B., (2009) Annu. Rev. Phys. Chem., 60, p. 13
Hare, P. M., Crespo-Hernandez, C., Kohler, B., (2007) Proc. Natl. Acad. Sci. U. S. A., 104, p. 435
Clark, L. B., Tinoco Jr., I., (1965) J. Am. Chem. Soc., 87, p. 11
Kistler, K. A., Matsika, S., (2009) J. Phys. Chem., 113, p. 12396
Olsen, J. M., Aidas, K., Mikkelsen, K. V., Kongsted, J., (2010) J. Chem. Theoret. Comp., 6, p. 249
Gaigeot, M. P., Sprik, M., (2004) J. Phys. Chem., 108, p. 7458
Pryor, B. A., Palmer, P. M., Chen, Y., Topp, M. R., (1999) Chem. Phys. Lett., 299, p. 536
Frutos, L. M., Andruniow, T., Santoro, F., Ferr, N., Olivucci, M., (2007) Proc. Nalt. Acad. Sci. U. S. A., 104, p. 7764
Lange, A. W., Herbert, J. M., (2009) J. Am. Chem. Soc., 131, p. 3913
Comput Strateg For Spectrosc (ISSN: 9780-4704), 2011; N/D: 37-75.
Export to Esporta in BibTeX Export to Esporta in EndNote
Paper type Tipo di articolo: Book Chapter,
Impact factor: 0, 5-year impact factor Impact factor a 5 anni: 0
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84865507329&partnerID=40&md5=e989a5147fac5f0486630d87a30b984e
Keywords Parole chiave: Medium-Large, Emission Spectra, Pcm Td-Dft Methods, Uv-Vis Absorption,
Affiliations Affiliazioni:
*** IBB - CNR ***
CNR-Consiglio Nazionale delle Ricerche, Istituto Biostrutturee Bioimmagini, Via Mezzocannone 16I, I80134 Naples, Italy
References Riferimenti:
Tkachenko, N., (2006), Optical Spectroscopy Methods and Instrumentations, Elsevier, AmsterdamLaane, J., Takahashi, H., Bandrauk, A.D., (1998), Eds., Structure and Dynamics of Electronic Excited States, Springer, BerlinKlessinger, M., Michl, J., (1995), Eds., Excited States and Photo-Chemistry of Organic Molecules, VCH, Mannheim, BerlinWang, C.H., (1985) Spectroscopy of Condensed Media, , Academic, New Yor
Fleming, G.R., (1986) Chemical Applications of Ultrafast Spectroscopy, , Oxford University, New York
Zewail, A.H., (1994) Femtochemistry: Ultrafast Dynamics of the Chemical Bond, , World Scientific, Singapore
Horbg, M.L., Gardecki, J.A., Papazyan, A., Maroncelli, M., (1995) J. Phys. Chem., 99, p. 17311
Lustres, L.P., Kovalenko, S.A., Mosquera, M., Senyushkina, T., Flasche, W., Ernsting, N.P., (2005) Angew. Chem. Int. Ed., 44, p. 5635
Christie, R.M., (1971) Colour Chemistry, , Royal Society of Chemistry, Cambridge
Grätzel, M., (2009) Acc. Chem. Res., 42, pp. 1788-1798
Walzer, K., Maennig, B., Pfeiffer, M., Leo, K., (2007) Chem. Rev., 107, p. 1233
Verma, S., Watt, G.M., Mai, Z., Hasan, T., (2007) Photochem. Photobiol., 83, p. 996
Terreno, E., Delli Castelli, D., Viale, A., (2010) S. Aime, Chem. Rev., 110, p. 3019
Olivucci, M., Sinicropi, A., (2005) Computational photochemistry, in Computational Photochemistry, 16. , M. Olivucci, Ed., Elsevier, Amsterdam
Domcke, W., Yarkony, D.R., Koppel, H., (2004) Conical Intersections: Electronic Structure, Dynamics & Spectroscopy, , (Advanced Series in Physical Chemistry), World Scientific Publishing, Singapore
Roos, B.O., (1999) Acc. Chem. Res., 32, p. 137
Roos, B.O., Andersson, K., Fülscher, M.P., Malmqvist, P.A., Serrano-Andres, L., Pierloot, K., Merchán, M., Multiconflgurational perturbation theory: Applications in electronic spectroscopy (1996) Adv. Chem. Phys., 93, p. 219
Gagliardi, L., Roos, B., (2007) Chem. Soc. Rev., 36, p. 893
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UV-Visible Absorption and Emission Energies in Condensed Phase by PCM/TD-DFT Methods
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UV-Visible Absorption and Emission Energies in Condensed Phase by PCM/TD-DFT Methods
Martinez-fernandez L, Pepino AJ, Segarra-marti J, Banyasz A, Garavelli M, Improta R
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Martinez-fernandez L, Pepino AJ, Segarra-marti J, Banyasz A, Garavelli M, Improta R
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Impact Factor: 5.245
Dettagli Esporta in BibTeX Esporta in EndNote
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Dettagli Esporta in BibTeX Esporta in EndNote
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Impact Factor: 5.31
Dettagli Esporta in BibTeX Esporta in EndNote
Stendardo E, Avila FJA, Santoro F, Improta R
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Impact Factor: 5.389
Dettagli Esporta in BibTeX Esporta in EndNote
7 Records (7 escludendo Abstract e Conferenze).
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Impact factor a 5 anni totale: 28.112 (28.112 escludendo Abstract e Conferenze).
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