Vibronic model for the quantum dynamical study of the competition between bright and charge-transfer excited states in single-strand polynucleotides: the adenine dimer case (270 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic, 1089-5639linking), 2009 Dec 31; 113(52): 15346-15354.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 2.899, 5-year impact factor: 2.98
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-73949102640&partnerID=40&md5=78ded56863dfff48bc99796f1116140a
Keywords: Aqueous Solutions, Charge-Transfer Excited State, Dft Levels, Electronic Hamiltonian, Excitonic State, Nuclear Coordinates, Nucleobases, Orbitals, Polynucleotides, Quantum Dynamical Calculations, Structural Change, Time-Dependent Hartree Method, Nucleic Acids, Adenine, Single Stranded Dna, Water, Article, Chemistry, Dimerization, Electron Transport, Quantum Theory, Solution And Solubility, Vibration, Single-Stranded, Time Factors,
Affiliations:
*** IBB - CNR ***
Dipartimento di Chimica and INSTM, Università Federico II, Complesso Monte S. Angelo, via Cintia, I-80126 Napoli, Italy
Istituto di Biostrutture E Bioimmagini-CNR, Via Mezzocannone 16, I-80134 Napoli, Italy
Area della Ricerca, Istituto per i Processi Chimico-Fisici Del Consiglio Nazionale Delle Ricerche (IPCF-CNR), Via G Moruzzi 1, I-56124 Pisa, Italy
Scuola Normale Superiore di Pisa, Piazza dei Cavalieri 7, I-56126 Pisa, Italy
References:
Crespo-Hernández, C.E., Cohen, B., Hare, P.M., Kohler, B., (2004) Chem. Rev., 104, pp. 1977-201
Middleton, C.T., De La Harpe, K., Su, C., Law, Y.K., Crespo-Hernadez, C.E., Kohler, B., (2009) Annu. Rev. Phys. Chem., 60, pp. 13-41
Schreier, W.J., Schrader, T.E., Koller, F.O., Gilch, P., Crespo-Hernández, C.E., Swaminathan, V.N., Carell, T., Kohler, B., (2007) Science, 315, p. 625
Schreier, W.J., Kubon, J., Regner, N., Haiser, K., Tobias, E., Schrader, T.E., Zinth, W., Gilch, P., (2009) J. Am. Chem. Soc., 131, p. 5038
Crespo-Hernàndez, C.E., Cohen, B., Kohler, B., (2005) Nature, 436, p. 1141
Markovitsi, D., Talbot, F., Gustavsson, T., Onidas, D., Lazzarotto, E., Marguet, S., (2006) Nature, 441, pp. E7
Markovitsi, D., Onidas, D., Gustavsson, T., Talbot, F., Lazzarotto, E., (2005) J. Am. Chem. Soc., 127, pp. 17130-17131
Schwalb, N., Temps, F.N., (2008) Science, 322, p. 243
Samoylova, E., Radloff, W., Hertel, I.V., Sobolewski, A.L., Domcke, W., (2004) Science, 306, pp. 1765-1768
Buchvarov, I., Wang, Q., Raytchev, M., Trifonov, A., Fiebig, T., (2007) Proc. Natl. Acad. Sci. USA., 104, pp. 4794-4797
Tonzani, S., Schatz, G.C., (2008) J. Am. Chem. Soc., 130, pp. 7607-7612
Takaya, T., Su, C., De La Harpe, K., Crespo-Hernández, C.E., Kohler, B., (2008) Proc. Natl. Acad. Sci. USA., 105, pp. 10285-10290
Kwok, W.-M., Ma, C., Phillips, D.L., (2006) J. Am. Chem. Soc., 128, pp. 11894-11905
Serrano-Andres, L., Merchan, M., Borin, A.C., (2006) Proc. Nat. Acad Sci., 103, pp. 8691-8696
Marian, C.M., (2005) J. Chem. Phys., 122, p. 104314
Karunakaran, V., Kleinermanns, K., Improta, R., Kovalenko, S.A., (2009) J. Am. Chem. Soc., 131, pp. 5839-5850
Mercier, Y., Santoro, F., Reguero, M., Improta, R., (2008) J. Phys. Chem. B, 112, pp. 10769-10772
Improta, R., Barone, V., (2008) Theor. Chem. Acc., 120, pp. 491-497
Gustavsson, T., Banyasz, A., Lazzarotto, E., Markovitsi, D., Scalmani, G., Frisch, M.J., Barone, V., Improta, R., (2006) J. Am. Chem. Soc., 128, pp. 607-619
Santoro, F., Barone, V., Gustavsson, T., Improta, R., (2006) J. Am. Chem. Soc., 128, pp. 16312-16322
Gustavsson, T., Sarkar, N., Lazzarotto, E., Markovitsi, D., Barone, V., Improta, R., (2006) J. Phys. Chem. B, 110, pp. 12843-12847
Lange, A.W., Rohrdanz, M.A., Herbert, J.M., (2008) J. Phys. Chem. B, 112, p. 6304
Lange, A.W., Herbert, J.M., (2009) J. Am. Chem. Soc., 131, pp. 3913-3922
Olaso-Gonzalez, G., Merchan, M., Serrano-Andres, L., (2009) J. Am. Chem. Soc., 131, pp. 4368-4377
Eisinger, J., Guéron, M., Shulman, R.G., Yamane, T., (1966) Proc. Natl. Acad. Sci. U.S.A., 55, pp. 1015-1020
Bittner, E.R., (2006) J. Chem. Phys., 125, p. 094909
Tamura, H., Bittner, E.R., Burghardt, I., (2007) J. Chem. Phys., 127, p. 034706
Dreuw, A., Head-Gordon, M., (2005) Chem. Rev., 105, p. 4009
Burke, K., Werschnik, J., Gross, E.K.U., (2005) J. Chem. Phys., 123, p. 62206
Adamo, C., Barone, V., (1999) J. Chem. Phys., 110, pp. 6158-6170
Ernzerhof, M., Scuseria, G.E., (1999) J. Chem. Phys., 110, pp. 5029-5036
Adamo, C., Scuseria, G.E., Barone, V., (1999) J. Chem. Phys., 111, pp. 2889-2899
Cossi, M., Barone, V., (2001) J. Chem. Phys., 115, pp. 4708-4717
Yanai, T., Tew, D.P., Handy, N.C., (2004) Chem. Phys. Lett., 393, pp. 51-55
Tawada, Y., Tsuneda, T., Yanagisawa, S., Yanai, T., Hirao, K., (2004) J. Chem. Phys., 120, p. 8425
Zhao, Y., Truhlar, D.G., (2008) Acc. Chem. Res., 41, pp. 157-167
Zhao, Y., Schultz, N.E., Truhlar, D.G., (2006) J. Chem. Theory Comput., 2, p. 364
Vydrav, O.A., Scuseria, G.E., (2006) J. Chem. Phys., 125, p. 234109
Improta, R., Scalmani, G., Frisch, M., Barone, V., (2007) J. Chem. Phys., 127, p. 074504
Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem. Rev., 105, p. 2999
Frisch, M.J., (2007) Gaussian03 Development Version, , revision F.02
Gaussian, Inc.: Wallingford, CT
Santoro, F., Improta, R., Barone, V., (2009) Theor. Chem. Acc., , in press
Meyer, H.-D., Manthe, U., Cederbaum, L.S., (1990) Chem. Phys. Lett., 171, p. 97
Manthe, U., Meyer, H.-D., Cederbaum, L.S., (1992) J. Chem. Phys., 97, p. 3193
Beck, M.H., Jäckle, A., Worth, G.A., Meyer, H.-D., (2000) Phys. Rep., 324, p. 1
Crespo-Hern ndez, C. E., Cohen, B., Hare, P. M., Kohler, B., (2004) Chem. Rev., 104, pp. 1977-201
Middleton, C. T., De La Harpe, K., Su, C., Law, Y. K., Crespo-Hernadez, C. E., Kohler, B., (2009) Annu. Rev. Phys. Chem., 60, pp. 13-41
Schreier, W. J., Schrader, T. E., Koller, F. O., Gilch, P., Crespo-Hern ndez, C. E., Swaminathan, V. N., Carell, T., Kohler, B., (2007) Science, 315, p. 625
Schreier, W. J., Kubon, J., Regner, N., Haiser, K., Tobias, E., Schrader, T. E., Zinth, W., Gilch, P., (2009) J. Am. Chem. Soc., 131, p. 5038
Kwok, W. -M., Ma, C., Phillips, D. L., (2006) J. Am. Chem. Soc., 128, pp. 11894-11905
Marian, C. M., (2005) J. Chem. Phys., 122, p. 104314
Lange, A. W., Rohrdanz, M. A., Herbert, J. M., (2008) J. Phys. Chem. B, 112, p. 6304
Lange, A. W., Herbert, J. M., (2009) J. Am. Chem. Soc., 131, pp. 3913-3922
Eisinger, J., Gu ron, M., Shulman, R. G., Yamane, T., (1966) Proc. Natl. Acad. Sci. U. S. A., 55, pp. 1015-1020
Bittner, E. R., (2006) J. Chem. Phys., 125, p. 094909
Yanai, T., Tew, D. P., Handy, N. C., (2004) Chem. Phys. Lett., 393, pp. 51-55
Vydrav, O. A., Scuseria, G. E., (2006) J. Chem. Phys., 125, p. 234109
Frisch, M. J., (2007) Gaussian03 Development Version, , revision F. 02
Meyer, H. -D., Manthe, U., Cederbaum, L. S., (1990) Chem. Phys. Lett., 171, p. 97
Beck, M. H., J ckle, A., Worth, G. A., Meyer, H. -D., (2000) Phys. Rep., 324, p. 1
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic, 1089-5639linking), 2009 Dec 31; 113(52): 15346-15354.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 2.899, 5-year impact factor: 2.98
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-73949102640&partnerID=40&md5=78ded56863dfff48bc99796f1116140a
Keywords: Aqueous Solutions, Charge-Transfer Excited State, Dft Levels, Electronic Hamiltonian, Excitonic State, Nuclear Coordinates, Nucleobases, Orbitals, Polynucleotides, Quantum Dynamical Calculations, Structural Change, Time-Dependent Hartree Method, Nucleic Acids, Adenine, Single Stranded Dna, Water, Article, Chemistry, Dimerization, Electron Transport, Quantum Theory, Solution And Solubility, Vibration, Single-Stranded, Time Factors,
Affiliations:
*** IBB - CNR ***
Dipartimento di Chimica and INSTM, Università Federico II, Complesso Monte S. Angelo, via Cintia, I-80126 Napoli, Italy
Istituto di Biostrutture E Bioimmagini-CNR, Via Mezzocannone 16, I-80134 Napoli, Italy
Area della Ricerca, Istituto per i Processi Chimico-Fisici Del Consiglio Nazionale Delle Ricerche (IPCF-CNR), Via G Moruzzi 1, I-56124 Pisa, Italy
Scuola Normale Superiore di Pisa, Piazza dei Cavalieri 7, I-56126 Pisa, Italy
References:
Crespo-Hernández, C.E., Cohen, B., Hare, P.M., Kohler, B., (2004) Chem. Rev., 104, pp. 1977-201
Middleton, C.T., De La Harpe, K., Su, C., Law, Y.K., Crespo-Hernadez, C.E., Kohler, B., (2009) Annu. Rev. Phys. Chem., 60, pp. 13-41
Schreier, W.J., Schrader, T.E., Koller, F.O., Gilch, P., Crespo-Hernández, C.E., Swaminathan, V.N., Carell, T., Kohler, B., (2007) Science, 315, p. 625
Schreier, W.J., Kubon, J., Regner, N., Haiser, K., Tobias, E., Schrader, T.E., Zinth, W., Gilch, P., (2009) J. Am. Chem. Soc., 131, p. 5038
Crespo-Hernàndez, C.E., Cohen, B., Kohler, B., (2005) Nature, 436, p. 1141
Markovitsi, D., Talbot, F., Gustavsson, T., Onidas, D., Lazzarotto, E., Marguet, S., (2006) Nature, 441, pp. E7
Markovitsi, D., Onidas, D., Gustavsson, T., Talbot, F., Lazzarotto, E., (2005) J. Am. Chem. Soc., 127, pp. 17130-17131
Schwalb, N., Temps, F.N., (2008) Science, 322, p. 243
Samoylova, E., Radloff, W., Hertel, I.V., Sobolewski, A.L., Domcke, W., (2004) Science, 306, pp. 1765-1768
Buchvarov, I., Wang, Q., Raytchev, M., Trifonov, A., Fiebig, T., (2007) Proc. Natl. Acad. Sci. USA., 104, pp. 4794-4797
Tonzani, S., Schatz, G.C., (2008) J. Am. Chem. Soc., 130, pp. 7607-7612
Takaya, T., Su, C., De La Harpe, K., Crespo-Hernández, C.E., Kohler, B., (2008) Proc. Natl. Acad. Sci. USA., 105, pp. 10285-10290
Kwok, W.-M., Ma, C., Phillips, D.L., (2006) J. Am. Chem. Soc., 128, pp. 11894-11905
Serrano-Andres, L., Merchan, M., Borin, A.C., (2006) Proc. Nat. Acad Sci., 103, pp. 8691-8696
Marian, C.M., (2005) J. Chem. Phys., 122, p. 104314
Karunakaran, V., Kleinermanns, K., Improta, R., Kovalenko, S.A., (2009) J. Am. Chem. Soc., 131, pp. 5839-5850
Mercier, Y., Santoro, F., Reguero, M., Improta, R., (2008) J. Phys. Chem. B, 112, pp. 10769-10772
Improta, R., Barone, V., (2008) Theor. Chem. Acc., 120, pp. 491-497
Gustavsson, T., Banyasz, A., Lazzarotto, E., Markovitsi, D., Scalmani, G., Frisch, M.J., Barone, V., Improta, R., (2006) J. Am. Chem. Soc., 128, pp. 607-619
Santoro, F., Barone, V., Gustavsson, T., Improta, R., (2006) J. Am. Chem. Soc., 128, pp. 16312-16322
Gustavsson, T., Sarkar, N., Lazzarotto, E., Markovitsi, D., Barone, V., Improta, R., (2006) J. Phys. Chem. B, 110, pp. 12843-12847
Lange, A.W., Rohrdanz, M.A., Herbert, J.M., (2008) J. Phys. Chem. B, 112, p. 6304
Lange, A.W., Herbert, J.M., (2009) J. Am. Chem. Soc., 131, pp. 3913-3922
Olaso-Gonzalez, G., Merchan, M., Serrano-Andres, L., (2009) J. Am. Chem. Soc., 131, pp. 4368-4377
Eisinger, J., Guéron, M., Shulman, R.G., Yamane, T., (1966) Proc. Natl. Acad. Sci. U.S.A., 55, pp. 1015-1020
Bittner, E.R., (2006) J. Chem. Phys., 125, p. 094909
Tamura, H., Bittner, E.R., Burghardt, I., (2007) J. Chem. Phys., 127, p. 034706
Dreuw, A., Head-Gordon, M., (2005) Chem. Rev., 105, p. 4009
Burke, K., Werschnik, J., Gross, E.K.U., (2005) J. Chem. Phys., 123, p. 62206
Adamo, C., Barone, V., (1999) J. Chem. Phys., 110, pp. 6158-6170
Ernzerhof, M., Scuseria, G.E., (1999) J. Chem. Phys., 110, pp. 5029-5036
Adamo, C., Scuseria, G.E., Barone, V., (1999) J. Chem. Phys., 111, pp. 2889-2899
Cossi, M., Barone, V., (2001) J. Chem. Phys., 115, pp. 4708-4717
Yanai, T., Tew, D.P., Handy, N.C., (2004) Chem. Phys. Lett., 393, pp. 51-55
Tawada, Y., Tsuneda, T., Yanagisawa, S., Yanai, T., Hirao, K., (2004) J. Chem. Phys., 120, p. 8425
Zhao, Y., Truhlar, D.G., (2008) Acc. Chem. Res., 41, pp. 157-167
Zhao, Y., Schultz, N.E., Truhlar, D.G., (2006) J. Chem. Theory Comput., 2, p. 364
Vydrav, O.A., Scuseria, G.E., (2006) J. Chem. Phys., 125, p. 234109
Improta, R., Scalmani, G., Frisch, M., Barone, V., (2007) J. Chem. Phys., 127, p. 074504
Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem. Rev., 105, p. 2999
Frisch, M.J., (2007) Gaussian03 Development Version, , revision F.02
Gaussian, Inc.: Wallingford, CT
Santoro, F., Improta, R., Barone, V., (2009) Theor. Chem. Acc., , in press
Meyer, H.-D., Manthe, U., Cederbaum, L.S., (1990) Chem. Phys. Lett., 171, p. 97
Manthe, U., Meyer, H.-D., Cederbaum, L.S., (1992) J. Chem. Phys., 97, p. 3193
Beck, M.H., Jäckle, A., Worth, G.A., Meyer, H.-D., (2000) Phys. Rep., 324, p. 1
Crespo-Hern ndez, C. E., Cohen, B., Hare, P. M., Kohler, B., (2004) Chem. Rev., 104, pp. 1977-201
Middleton, C. T., De La Harpe, K., Su, C., Law, Y. K., Crespo-Hernadez, C. E., Kohler, B., (2009) Annu. Rev. Phys. Chem., 60, pp. 13-41
Schreier, W. J., Schrader, T. E., Koller, F. O., Gilch, P., Crespo-Hern ndez, C. E., Swaminathan, V. N., Carell, T., Kohler, B., (2007) Science, 315, p. 625
Schreier, W. J., Kubon, J., Regner, N., Haiser, K., Tobias, E., Schrader, T. E., Zinth, W., Gilch, P., (2009) J. Am. Chem. Soc., 131, p. 5038
Kwok, W. -M., Ma, C., Phillips, D. L., (2006) J. Am. Chem. Soc., 128, pp. 11894-11905
Marian, C. M., (2005) J. Chem. Phys., 122, p. 104314
Lange, A. W., Rohrdanz, M. A., Herbert, J. M., (2008) J. Phys. Chem. B, 112, p. 6304
Lange, A. W., Herbert, J. M., (2009) J. Am. Chem. Soc., 131, pp. 3913-3922
Eisinger, J., Gu ron, M., Shulman, R. G., Yamane, T., (1966) Proc. Natl. Acad. Sci. U. S. A., 55, pp. 1015-1020
Bittner, E. R., (2006) J. Chem. Phys., 125, p. 094909
Yanai, T., Tew, D. P., Handy, N. C., (2004) Chem. Phys. Lett., 393, pp. 51-55
Vydrav, O. A., Scuseria, G. E., (2006) J. Chem. Phys., 125, p. 234109
Frisch, M. J., (2007) Gaussian03 Development Version, , revision F. 02
Meyer, H. -D., Manthe, U., Cederbaum, L. S., (1990) Chem. Phys. Lett., 171, p. 97
Beck, M. H., J ckle, A., Worth, G. A., Meyer, H. -D., (2000) Phys. Rep., 324, p. 1
Vibronic model for the quantum dynamical study of the competition between bright and charge-transfer excited states in single-strand polynucleotides: the adenine dimer case
A simple vibronic model aimed at investigating the interplay between bright excitonic states and dark charge-transfer (CT) states in stacked adenine (Ade) nucleobases is presented. Two orbitals (the HOMO and the LUMO) for each Ade site have been included in the electronic Hamiltonian, whose parameters have been fitted to reproduce the main features of the absorption spectra of two stacked 9-methyladenine (9Me-A) molecules, computed in aqueous solution at the PCM/TD-PBEO level. Three modes for each adenine unit have been included in the Hamiltonian, to describe the main structural changes among the different excited state minima of the adenine stacked dimer, as described at the TD-DFT level. The developed vibronic Hamiltonian (four electronic states and six nuclear coordinates) has been adopted to perform quantum dynamical calculations of a photoexcited Ade stacked dimer, utilizing the multiconfigurational time-dependent Hartree method. The obtained results indicate that the transfer between the bright excitonic state and the CT state is fast and effective. © 2009 American Chemical Society.
A simple vibronic model aimed at investigating the interplay between bright excitonic states and dark charge-transfer (CT) states in stacked adenine (Ade) nucleobases is presented. Two orbitals (the HOMO and the LUMO) for each Ade site have been included in the electronic Hamiltonian, whose parameters have been fitted to reproduce the main features of the absorption spectra of two stacked 9-methyladenine (9Me-A) molecules, computed in aqueous solution at the PCM/TD-PBEO level. Three modes for each adenine unit have been included in the Hamiltonian, to describe the main structural changes among the different excited state minima of the adenine stacked dimer, as described at the TD-DFT level. The developed vibronic Hamiltonian (four electronic states and six nuclear coordinates) has been adopted to perform quantum dynamical calculations of a photoexcited Ade stacked dimer, utilizing the multiconfigurational time-dependent Hartree method. The obtained results indicate that the transfer between the bright excitonic state and the CT state is fast and effective. © 2009 American Chemical Society.
Vibronic model for the quantum dynamical study of the competition between bright and charge-transfer excited states in single-strand polynucleotides: the adenine dimer case
No results. |
Vibronic model for the quantum dynamical study of the competition between bright and charge-transfer excited states in single-strand polynucleotides: the adenine dimer case
Other filter: ([btitle,keywords] "Aqueous Solutions" O ...
Improta R, Santoro F, Blancafort L
* Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (850 views)
Chem Rev (ISSN: 0009-2665), 2016; 116(6): 3540-3593.
Impact Factor: 47.928
View Export to BibTeX Export to EndNote
Improta R
* Photophysics and photochemistry of thymine deoxy-dinucleotide in water: A PCM/TD-DFT quantum mechanical study (305 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Dec 13; 116(49): 14261-14274.
Impact Factor: 3.607
View Export to BibTeX Export to EndNote
Banyasz A, Douki T, Improta R, Gustavsson T, Onidas D, Vaya I, Perron M, Markovitsi D
* Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study (360 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
Impact Factor: 10.677
View Export to BibTeX Export to EndNote
Hua Y, Changenet-Barret P, Improta R, Vaya I, Gustavsson T, Kotlyar AB, Zikich D, Sket P, Plavec J, Markovitsi D
* Cation effect on the electronic excited states of guanine nanostructures studied by time-resolved fluorescence spectroscopy (394 views)
J Phys Chem C (ISSN: 1932-7447), 2012 Jul 12; 116(27): 14682-14689.
Impact Factor: 4.814
View Export to BibTeX Export to EndNote
Tabbì G, Di Mauro G, Purrello R, Bonomo RP
* Electrochemical characterization of ordered arrays of metallo-porphyrins in aqueous solution (380 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2011 Apr 28; 40(16): 4223-4229.
Impact Factor: 3.838
View Export to BibTeX Export to EndNote
Vagliasindi LI, Arena G, Bonomo RP, Pappalardo G, Tabbì G
* Copper complex species within a fragment of the N-terminal repeat region in opossum PrP protein (357 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2011 Mar 21; 40(11): 2441-2450.
Impact Factor: 3.838
View Export to BibTeX Export to EndNote
Di Natale G, Pappalardo G, Milardi D, Sciacca MF, Attanasio F, La Mendola D, Rizzarelli E
* Membrane interactions and conformational preferences of human and avian prion N-terminal tandem repeats: The role of copper(II) ions, pH, and membrane mimicking environments (494 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Nov 4; 114(43): 13830-13838.
Impact Factor: 3.603
View Export to BibTeX Export to EndNote
Banyasz A, Karpati S, Mercier Y, Reguero M, Gustavsson T, Markovitsi D, Improta R
* The peculiar spectral properties of amino-substituted uracils: A combined theoretical and experimental study (350 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Oct 7; 114(39): 12708-12719.
Impact Factor: 3.603
View Export to BibTeX Export to EndNote
La Mendola D, Magrì A, Campagna T, Campitiello MA, Raiola L, Isernia C, Hansson O, Bonomo RP, Rizzarelli E
* A doppel alpha-helix peptide fragment mimics the copper(II) interactions with the whole protein (1115 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2010 Jun 1; 16(21): 6212-6223.
Impact Factor: 5.476
View Export to BibTeX Export to EndNote
Mazzaglia A, Micali N, Scolaro LM, Attanasio F, Magrí A, Pappalardo G, Villari V
* Aggregation properties of the peptide fragments derived from the 17-29 region of the human and rat IAPP: A comparative study with two PEG-conjugated variants of the human sequence (440 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Jan 21; 114(2): 705-713.
Impact Factor: 3.603
View Export to BibTeX Export to EndNote
Puglisi A, Rizzarelli E, Vecchio G, Iacovino R, Benedetti E, Pedone C, Saviano M
* Crystal And Molecular Structure Of Beta-Cyclodextrins Functionalized With The Anti-Inflammatory Drug Etodolac (416 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1227-1235.
Impact Factor: 2.605
View Export to BibTeX Export to EndNote
Improta R, Barone V, Lami A, Santoro F
* Quantum dynamics of the ultrafast ππ*/nπ* population transfer in uracil and 5-fluoro-uracil in water and acetonitrile (289 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2009 Oct 29; 113(43): 14491-14503.
Impact Factor: 3.471
View Export to BibTeX Export to EndNote
Karunakaran V, Kleinermanns K, Improta R, Kovalenko SA
* Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations (278 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.
Impact Factor: 8.58
View Export to BibTeX Export to EndNote
Sgarlata C, Bonaccorso C, Gulino FG, Zito V, Arena G, Sciotto D
* Sterochemistry And Thermodynamics Of The Inclusion Of Aliphatic And Aromatic Anionic Guests In A Tetracationic Calix [4] Arene In Acidic And Neutral Aqueous Solutions (311 views)
New Journal Of Chemistry, 2009; 33: 991-991.
Impact Factor: 3.159
View Export to BibTeX Export to EndNote
Santoro F, Barone V, Improta R
* The Excited States Decay Of The A-T Dna: A Pcm/Td-Dft Study In Aqueous Solution Of The (9-Methyl-Adenine) 2 (1-Methyl-Thymine) 2 Stacked Tetramer (241 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(42): 15232-15245.
Impact Factor: 8.58
View Export to BibTeX Export to EndNote
* Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (850 views)
Chem Rev (ISSN: 0009-2665), 2016; 116(6): 3540-3593.
Impact Factor: 47.928
View Export to BibTeX Export to EndNote
Improta R
* Photophysics and photochemistry of thymine deoxy-dinucleotide in water: A PCM/TD-DFT quantum mechanical study (305 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Dec 13; 116(49): 14261-14274.
Impact Factor: 3.607
View Export to BibTeX Export to EndNote
Banyasz A, Douki T, Improta R, Gustavsson T, Onidas D, Vaya I, Perron M, Markovitsi D
* Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study (360 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
Impact Factor: 10.677
View Export to BibTeX Export to EndNote
Hua Y, Changenet-Barret P, Improta R, Vaya I, Gustavsson T, Kotlyar AB, Zikich D, Sket P, Plavec J, Markovitsi D
* Cation effect on the electronic excited states of guanine nanostructures studied by time-resolved fluorescence spectroscopy (394 views)
J Phys Chem C (ISSN: 1932-7447), 2012 Jul 12; 116(27): 14682-14689.
Impact Factor: 4.814
View Export to BibTeX Export to EndNote
Tabbì G, Di Mauro G, Purrello R, Bonomo RP
* Electrochemical characterization of ordered arrays of metallo-porphyrins in aqueous solution (380 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2011 Apr 28; 40(16): 4223-4229.
Impact Factor: 3.838
View Export to BibTeX Export to EndNote
Vagliasindi LI, Arena G, Bonomo RP, Pappalardo G, Tabbì G
* Copper complex species within a fragment of the N-terminal repeat region in opossum PrP protein (357 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2011 Mar 21; 40(11): 2441-2450.
Impact Factor: 3.838
View Export to BibTeX Export to EndNote
Di Natale G, Pappalardo G, Milardi D, Sciacca MF, Attanasio F, La Mendola D, Rizzarelli E
* Membrane interactions and conformational preferences of human and avian prion N-terminal tandem repeats: The role of copper(II) ions, pH, and membrane mimicking environments (494 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Nov 4; 114(43): 13830-13838.
Impact Factor: 3.603
View Export to BibTeX Export to EndNote
Banyasz A, Karpati S, Mercier Y, Reguero M, Gustavsson T, Markovitsi D, Improta R
* The peculiar spectral properties of amino-substituted uracils: A combined theoretical and experimental study (350 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Oct 7; 114(39): 12708-12719.
Impact Factor: 3.603
View Export to BibTeX Export to EndNote
La Mendola D, Magrì A, Campagna T, Campitiello MA, Raiola L, Isernia C, Hansson O, Bonomo RP, Rizzarelli E
* A doppel alpha-helix peptide fragment mimics the copper(II) interactions with the whole protein (1115 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2010 Jun 1; 16(21): 6212-6223.
Impact Factor: 5.476
View Export to BibTeX Export to EndNote
Mazzaglia A, Micali N, Scolaro LM, Attanasio F, Magrí A, Pappalardo G, Villari V
* Aggregation properties of the peptide fragments derived from the 17-29 region of the human and rat IAPP: A comparative study with two PEG-conjugated variants of the human sequence (440 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Jan 21; 114(2): 705-713.
Impact Factor: 3.603
View Export to BibTeX Export to EndNote
Puglisi A, Rizzarelli E, Vecchio G, Iacovino R, Benedetti E, Pedone C, Saviano M
* Crystal And Molecular Structure Of Beta-Cyclodextrins Functionalized With The Anti-Inflammatory Drug Etodolac (416 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1227-1235.
Impact Factor: 2.605
View Export to BibTeX Export to EndNote
Improta R, Barone V, Lami A, Santoro F
* Quantum dynamics of the ultrafast ππ*/nπ* population transfer in uracil and 5-fluoro-uracil in water and acetonitrile (289 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2009 Oct 29; 113(43): 14491-14503.
Impact Factor: 3.471
View Export to BibTeX Export to EndNote
Karunakaran V, Kleinermanns K, Improta R, Kovalenko SA
* Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations (278 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.
Impact Factor: 8.58
View Export to BibTeX Export to EndNote
Sgarlata C, Bonaccorso C, Gulino FG, Zito V, Arena G, Sciotto D
* Sterochemistry And Thermodynamics Of The Inclusion Of Aliphatic And Aromatic Anionic Guests In A Tetracationic Calix [4] Arene In Acidic And Neutral Aqueous Solutions (311 views)
New Journal Of Chemistry, 2009; 33: 991-991.
Impact Factor: 3.159
View Export to BibTeX Export to EndNote
Santoro F, Barone V, Improta R
* The Excited States Decay Of The A-T Dna: A Pcm/Td-Dft Study In Aqueous Solution Of The (9-Methyl-Adenine) 2 (1-Methyl-Thymine) 2 Stacked Tetramer (241 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(42): 15232-15245.
Impact Factor: 8.58
View Export to BibTeX Export to EndNote
15 Records (14 excluding Abstracts).
Total impact factor: 117.382 (114.223 excluding Abstracts).
Total 5 year impact factor: 124.069 (121.232 excluding Abstracts).
Total impact factor: 117.382 (114.223 excluding Abstracts).
Total 5 year impact factor: 124.069 (121.232 excluding Abstracts).
270 views. Last view on Saturday 14 January 2023, 19:09:02
ibb.cnr.it
