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UV-Visible Absorption and Emission Energies in Condensed Phase by PCM/TD-DFT Methods (40 views)

Improta R

Comput Strateg For Spectrosc (ISSN: 9780-4704), 2011; N/D: 37-75.

Abstract
Not available.

Affiliations ▼
*** IBB - CNR Affiliation

CNR-Consiglio Nazionale delle Ricerche, Istituto Biostrutturee Bioimmagini, Via Mezzocannone 16I, I80134 Naples, Italy

Details ▼
Impact factor: 0, 5-year impact factor: 0

Paper type: Book Chapter,

Keywords: Medium-Large, Emission Spectra, Pcm Td-Dft Methods, Uv-Vis Absorption,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84865507329&partnerID=40&md5=e989a5147fac5f0486630d87a30b984e

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Christie, R. M., (1971) Colour Chemistry, , Royal Society of Chemistry, Cambridge

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Verma, S., Watt, G. M., Mai, Z., Hasan, T., (2007) Photochem. Photobiol., 83, p. 996

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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

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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

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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


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