A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution (332 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Sep 7; 125(5): N/D-N/D.
Export to BibTeX Export to EndNote
Paper type: Journal Article, Abstract, Conference,
Impact factor: 3.166, 5-year impact factor: 3.142
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-33746868881&partnerID=40&md5=7d9021cf1e3a1284e50dc8d69815acc8
Keywords: Paramount Relevance, Polarizable Continuum Model (pcm), State Specific(ss), Time Dependent Density Functional Theory (td-Dft), Band Structure, Continuum Mechanics, Electron Transitions, Electronic Structure, Linear Systems, Polarization, Probability Density Function, Quantum Theory, Relaxation Processes, Solvents, Spectroscopic Analysis, Solutions, Coumarin 153, Coumarin Derivative, Formaldehyde, Article, Biophysics, Chemical Model, Chemistry, Computer Program, Conformation, Methodology, Physical Chemistry, Spectrophotometry, Statistical Model, Molecular Conformation, Software, Time Factors, State Specific (ss),
Affiliations:
*** IBB - CNR ***
Dipartimento di Chimica, Università Federico II, Complesso Monte S. Angela, via. Cintia, I-80126 Napoli, Italy
Istituto di Biostrutture e Bioimmagini, CNR, via Mezzocannone 16, 80134 Napoli, Italy
Gaussian, Inc., Wallingford, CT 06492, United States
References:
(1998) Structure and Dynamics of Electronic Excited States, , edited by J. Laane, H. Takahashi, and A. D. Bandrauk (Springer, Berlin
(1995) Excited States and Photo-chemistry of Organic Molecules, , edited by M. Klessinger and J. Michl (VCH, 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
Dreuw, A., Head-Gordon, M., (2005) Chem. Rev. (Washington, D.C.), 105, p. 4009
Andersson, K., Roos, B.O., (1995) Modern Electronic Structure Theory, 1, p. 55. , edited by D. R. Yarkony (World Scientific, New York)
Miertuš, S., Scrocco, E., Tomasi, J., (1981) Chem. Phys., 55, p. 117
Tomasi, J., Persico, M., (1994) Chem. Rev. (Washington, D.C.), 94, p. 2027
Amovilli, C., Barone, V., Cammi, R., Cances, E., Cossi, M., Mennucci, B., Pomelli, C.S., Tomasi, J., (1998) Adv. Quantum Chem., 32, p. 227
Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem. Rev. (Washington, D.C.), 105, p. 2999
Improta, R., Barone, V., (2004) Chem. Rev. (Washington, D.C.), 104, p. 1231
Ciofini, I., Barone, V., Adamo, C., (2004) J. Chem. Phys., 121, p. 6710
Cimino, P., Barone, V., (2005) THEOCHEM, 729, p. 1
Pavone, M., Cimino, P., De Angelis, F., Barone, V., (2006) J. Am. Chem. Soc., 128, p. 4338
Cossi, M., Barone, V., Cammi, R., Tomasi, J., (1996) Chem. Phys. Lett., 255, p. 327
Cammi, R., Mennucci, B., Tomasi, J., (1999) J. Phys. Chem. A, 103, p. 9100
Cristiansen, O., Mikkelsen, K.V., (1999) J. Chem. Phys., 110, p. 1365
Mennucci, B., Toniolo, A., Cappelli, C., (1999) J. Chem. Phys., 111, p. 7197
Caricato, M., Mennucci, B., Tomasi, J., Ingrosso, F., Cammi, R., Corni, S., Scalmani, G., (2006) J. Chem. Phys., 124, p. 124520
Foresman, J.B., Head-Gordon, M., Pople, J.A., Frisch, M.J., (1992) J. Phys. Chem., 96, p. 135
Petersilka, M., Gossmann, U.J., Gross, E.K.U., (1996) Phys. Rev. Lett., 76, p. 1212
Casida, M.K., (1995) Recent Advances in Density Functional Methods, , edited by D. P. Chong (World Scientific, Singapore), pt. 1
Adamo, C., Barone, V., (1999) Chem. Phys. Lett., 314, p. 152
Aquilante, F., Barone, V., Roos, B.O., (2003) J. Chem. Phys., 119, p. 12323
Dreuw, A., Weisman, J.L., Head-Gordon, M., (2003) J. Chem. Phys., 119, p. 2943
Burke, K., Werschnik, J., Gross, E.K.U., (2005) J. Chem. Phys., 123, p. 62206
Gritsenko, O., Baerends, E.J., (2004) J. Chem. Phys., 121, p. 655
Maitra, 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
Crescenzi, O., Pavone, M., De Angelis, F., Barone, V., (2005) J. Phys. Chem. B, 109, p. 445
Sanna, N., Chillemi, G., Grandi, A., Castelli, S., Desideri, A., Barone, V., (2005) J. Am. Chem. Soc., 127, p. 15429
Scalmani, G., Frisch, M.J., Mennucci, B., Tomasi, J., Cammi, R., Barone, V., (2006) J. Chem. Phys., 124, p. 094107
Corni, S., Cammi, R., Mennucci, B., Tomasi, J., (2005) J. Chem. Phys., 123, p. 134512
Aguilar, M.A., (2001) J. Phys. Chem. A, 105, p. 10393
Regan, J.J., Onuchic, J.N., (1999) Electron Transfer: From Isolated Molecules to Biomolecules, (2 PART), p. 497. , edited by J. Jortner and M. Bixon (Wiley, New York)
Marcus, R.A., Sutin, N., (1985) Biochim. Biophys. Acta, 811, p. 265
Newton, M.D., (2003) Theor. Chem. Acc., 110, p. 307
Newton, M.D., Sutin, N., (1984) Annu. Rev. Phys. Chem., 35, p. 437
Newton, M.D., (1991) Chem. Rev. (Washington, D.C.), 91, p. 767
Leontyev, I.V., Basilevsky, M.V., Newton, M.D., (2004) Theor. Chem. Acc., 111, p. 110
Cossi, M., Scalmani, G., Rega, N., Barone, V., (2002) J. Chem. Phys., 117, p. 43
Enzerhof, M., Scuseria, G.E., (1999) J. Chem. Phys., 110, p. 5029
Adamo, C., Scuseria, G.E., Barone, V., (2000) J. Chem. Phys., 111, p. 2889
Improta, R., Santoro, F., Dietl, C., Papastathopoulos, E., Gerber, G., (2004) Chem. Phys. Lett., 387, p. 509
Barone, V., Cossi, M., Tomasi, J., (1997) J. Chem. Phys., 107, p. 3210
Frisch, M.J., Trucks, G.W., Schlegel, H.B., (2005) GAUSSIAN Development Version D.02, , Gaussian, Inc., Pittsburgh, PA
Maroncelli, M., Fleming, G.R., (1987) J. Chem. Phys., 86, p. 6221
Horng, M.L., Gardecki, J.A., Papazyan, A., Maroncelli, M., (1995) J. Phys. Chem., 99, p. 17311
Kimura, Y., (1999) J. Chem. Phys., 111, p. 5474
Gustavsson, T., Cassara, L., Gulbinas, V., Gurzadyan, G., Mialocq, J.C., Pommeret, S., Sorgius, M., Van Der Meulen, P., (1998) J. Phys. Chem. A, 102, p. 4229
Ingrosso, F., Ladanyi, B.M., Mennucci, B., Scalmani, G., (2006) J. Phys. Chem. B, 110, p. 4953
Cave, R.J., Castner Jr., E.W., (2002) J. Phys. Chem. A, 106, p. 12117
Ingrosso, F., Mennucci, B., Tomasi, J., (2002) J. Mol. Liq., 108, p. 21
McRae, E.G., (1957) J. Phys. Chem., 61, p. 562
Onsager, L., (1936) J. Am. Chem. Soc., 58, p. 1486
(1995) Excited States and Photo-chemistry of Organic Molecules, , edited by M. Klessinger and J. Michl (VCH, 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
Miertu, S., Scrocco, E., Tomasi, J., (1981) Chem. Phys., 55, p. 117
Foresman, J. B., Head-Gordon, M., Pople, J. A., Frisch, M. J., (1992) J. Phys. Chem., 96, p. 135
Casida, M. K., (1995) Recent Advances in Density Functional Methods, , edited by D. P. Chong (World Scientific, Singapore), pt. 1
Maitra, 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
Aguilar, M. A., (2001) J. Phys. Chem. A, 105, p. 10393
Regan, J. J., Onuchic, J. N., (1999) Electron Transfer: From Isolated Molecules to Biomolecules, (2 PART), p. 497. , edited by J. Jortner and M. Bixon (Wiley, New York)
Marcus, R. A., Sutin, N., (1985) Biochim. Biophys. Acta, 811, p. 265
Newton, M. D., (2003) Theor. Chem. Acc., 110, p. 307
Newton, M. D., Sutin, N., (1984) Annu. Rev. Phys. Chem., 35, p. 437
Newton, M. D., (1991) Chem. Rev. (Washington, D. C.), 91, p. 767
Leontyev, I. V., Basilevsky, M. V., Newton, M. D., (2004) Theor. Chem. Acc., 111, p. 110
Frisch, M. J., Trucks, G. W., Schlegel, H. B., (2005) GAUSSIAN Development Version D. 02, , Gaussian, Inc., Pittsburgh, PA
Horng, M. L., Gardecki, J. A., Papazyan, A., Maroncelli, M., (1995) J. Phys. Chem., 99, p. 17311
Cave, R. J., Castner Jr., E. W., (2002) J. Phys. Chem. A, 106, p. 12117
McRae, E. G., (1957) J. Phys. Chem., 61, p. 562
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Sep 7; 125(5): N/D-N/D.
Export to BibTeX Export to EndNote
Paper type: Journal Article, Abstract, Conference,
Impact factor: 3.166, 5-year impact factor: 3.142
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-33746868881&partnerID=40&md5=7d9021cf1e3a1284e50dc8d69815acc8
Keywords: Paramount Relevance, Polarizable Continuum Model (pcm), State Specific(ss), Time Dependent Density Functional Theory (td-Dft), Band Structure, Continuum Mechanics, Electron Transitions, Electronic Structure, Linear Systems, Polarization, Probability Density Function, Quantum Theory, Relaxation Processes, Solvents, Spectroscopic Analysis, Solutions, Coumarin 153, Coumarin Derivative, Formaldehyde, Article, Biophysics, Chemical Model, Chemistry, Computer Program, Conformation, Methodology, Physical Chemistry, Spectrophotometry, Statistical Model, Molecular Conformation, Software, Time Factors, State Specific (ss),
Affiliations:
*** IBB - CNR ***
Dipartimento di Chimica, Università Federico II, Complesso Monte S. Angela, via. Cintia, I-80126 Napoli, Italy
Istituto di Biostrutture e Bioimmagini, CNR, via Mezzocannone 16, 80134 Napoli, Italy
Gaussian, Inc., Wallingford, CT 06492, United States
References:
(1998) Structure and Dynamics of Electronic Excited States, , edited by J. Laane, H. Takahashi, and A. D. Bandrauk (Springer, Berlin
(1995) Excited States and Photo-chemistry of Organic Molecules, , edited by M. Klessinger and J. Michl (VCH, 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
Dreuw, A., Head-Gordon, M., (2005) Chem. Rev. (Washington, D.C.), 105, p. 4009
Andersson, K., Roos, B.O., (1995) Modern Electronic Structure Theory, 1, p. 55. , edited by D. R. Yarkony (World Scientific, New York)
Miertuš, S., Scrocco, E., Tomasi, J., (1981) Chem. Phys., 55, p. 117
Tomasi, J., Persico, M., (1994) Chem. Rev. (Washington, D.C.), 94, p. 2027
Amovilli, C., Barone, V., Cammi, R., Cances, E., Cossi, M., Mennucci, B., Pomelli, C.S., Tomasi, J., (1998) Adv. Quantum Chem., 32, p. 227
Tomasi, J., Mennucci, B., Cammi, R., (2005) Chem. Rev. (Washington, D.C.), 105, p. 2999
Improta, R., Barone, V., (2004) Chem. Rev. (Washington, D.C.), 104, p. 1231
Ciofini, I., Barone, V., Adamo, C., (2004) J. Chem. Phys., 121, p. 6710
Cimino, P., Barone, V., (2005) THEOCHEM, 729, p. 1
Pavone, M., Cimino, P., De Angelis, F., Barone, V., (2006) J. Am. Chem. Soc., 128, p. 4338
Cossi, M., Barone, V., Cammi, R., Tomasi, J., (1996) Chem. Phys. Lett., 255, p. 327
Cammi, R., Mennucci, B., Tomasi, J., (1999) J. Phys. Chem. A, 103, p. 9100
Cristiansen, O., Mikkelsen, K.V., (1999) J. Chem. Phys., 110, p. 1365
Mennucci, B., Toniolo, A., Cappelli, C., (1999) J. Chem. Phys., 111, p. 7197
Caricato, M., Mennucci, B., Tomasi, J., Ingrosso, F., Cammi, R., Corni, S., Scalmani, G., (2006) J. Chem. Phys., 124, p. 124520
Foresman, J.B., Head-Gordon, M., Pople, J.A., Frisch, M.J., (1992) J. Phys. Chem., 96, p. 135
Petersilka, M., Gossmann, U.J., Gross, E.K.U., (1996) Phys. Rev. Lett., 76, p. 1212
Casida, M.K., (1995) Recent Advances in Density Functional Methods, , edited by D. P. Chong (World Scientific, Singapore), pt. 1
Adamo, C., Barone, V., (1999) Chem. Phys. Lett., 314, p. 152
Aquilante, F., Barone, V., Roos, B.O., (2003) J. Chem. Phys., 119, p. 12323
Dreuw, A., Weisman, J.L., Head-Gordon, M., (2003) J. Chem. Phys., 119, p. 2943
Burke, K., Werschnik, J., Gross, E.K.U., (2005) J. Chem. Phys., 123, p. 62206
Gritsenko, O., Baerends, E.J., (2004) J. Chem. Phys., 121, p. 655
Maitra, 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
Crescenzi, O., Pavone, M., De Angelis, F., Barone, V., (2005) J. Phys. Chem. B, 109, p. 445
Sanna, N., Chillemi, G., Grandi, A., Castelli, S., Desideri, A., Barone, V., (2005) J. Am. Chem. Soc., 127, p. 15429
Scalmani, G., Frisch, M.J., Mennucci, B., Tomasi, J., Cammi, R., Barone, V., (2006) J. Chem. Phys., 124, p. 094107
Corni, S., Cammi, R., Mennucci, B., Tomasi, J., (2005) J. Chem. Phys., 123, p. 134512
Aguilar, M.A., (2001) J. Phys. Chem. A, 105, p. 10393
Regan, J.J., Onuchic, J.N., (1999) Electron Transfer: From Isolated Molecules to Biomolecules, (2 PART), p. 497. , edited by J. Jortner and M. Bixon (Wiley, New York)
Marcus, R.A., Sutin, N., (1985) Biochim. Biophys. Acta, 811, p. 265
Newton, M.D., (2003) Theor. Chem. Acc., 110, p. 307
Newton, M.D., Sutin, N., (1984) Annu. Rev. Phys. Chem., 35, p. 437
Newton, M.D., (1991) Chem. Rev. (Washington, D.C.), 91, p. 767
Leontyev, I.V., Basilevsky, M.V., Newton, M.D., (2004) Theor. Chem. Acc., 111, p. 110
Cossi, M., Scalmani, G., Rega, N., Barone, V., (2002) J. Chem. Phys., 117, p. 43
Enzerhof, M., Scuseria, G.E., (1999) J. Chem. Phys., 110, p. 5029
Adamo, C., Scuseria, G.E., Barone, V., (2000) J. Chem. Phys., 111, p. 2889
Improta, R., Santoro, F., Dietl, C., Papastathopoulos, E., Gerber, G., (2004) Chem. Phys. Lett., 387, p. 509
Barone, V., Cossi, M., Tomasi, J., (1997) J. Chem. Phys., 107, p. 3210
Frisch, M.J., Trucks, G.W., Schlegel, H.B., (2005) GAUSSIAN Development Version D.02, , Gaussian, Inc., Pittsburgh, PA
Maroncelli, M., Fleming, G.R., (1987) J. Chem. Phys., 86, p. 6221
Horng, M.L., Gardecki, J.A., Papazyan, A., Maroncelli, M., (1995) J. Phys. Chem., 99, p. 17311
Kimura, Y., (1999) J. Chem. Phys., 111, p. 5474
Gustavsson, T., Cassara, L., Gulbinas, V., Gurzadyan, G., Mialocq, J.C., Pommeret, S., Sorgius, M., Van Der Meulen, P., (1998) J. Phys. Chem. A, 102, p. 4229
Ingrosso, F., Ladanyi, B.M., Mennucci, B., Scalmani, G., (2006) J. Phys. Chem. B, 110, p. 4953
Cave, R.J., Castner Jr., E.W., (2002) J. Phys. Chem. A, 106, p. 12117
Ingrosso, F., Mennucci, B., Tomasi, J., (2002) J. Mol. Liq., 108, p. 21
McRae, E.G., (1957) J. Phys. Chem., 61, p. 562
Onsager, L., (1936) J. Am. Chem. Soc., 58, p. 1486
(1995) Excited States and Photo-chemistry of Organic Molecules, , edited by M. Klessinger and J. Michl (VCH, 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
Miertu, S., Scrocco, E., Tomasi, J., (1981) Chem. Phys., 55, p. 117
Foresman, J. B., Head-Gordon, M., Pople, J. A., Frisch, M. J., (1992) J. Phys. Chem., 96, p. 135
Casida, M. K., (1995) Recent Advances in Density Functional Methods, , edited by D. P. Chong (World Scientific, Singapore), pt. 1
Maitra, 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
Aguilar, M. A., (2001) J. Phys. Chem. A, 105, p. 10393
Regan, J. J., Onuchic, J. N., (1999) Electron Transfer: From Isolated Molecules to Biomolecules, (2 PART), p. 497. , edited by J. Jortner and M. Bixon (Wiley, New York)
Marcus, R. A., Sutin, N., (1985) Biochim. Biophys. Acta, 811, p. 265
Newton, M. D., (2003) Theor. Chem. Acc., 110, p. 307
Newton, M. D., Sutin, N., (1984) Annu. Rev. Phys. Chem., 35, p. 437
Newton, M. D., (1991) Chem. Rev. (Washington, D. C.), 91, p. 767
Leontyev, I. V., Basilevsky, M. V., Newton, M. D., (2004) Theor. Chem. Acc., 111, p. 110
Frisch, M. J., Trucks, G. W., Schlegel, H. B., (2005) GAUSSIAN Development Version D. 02, , Gaussian, Inc., Pittsburgh, PA
Horng, M. L., Gardecki, J. A., Papazyan, A., Maroncelli, M., (1995) J. Phys. Chem., 99, p. 17311
Cave, R. J., Castner Jr., E. W., (2002) J. Phys. Chem. A, 106, p. 12117
McRae, E. G., (1957) J. Phys. Chem., 61, p. 562
A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution
An effective state specific (SS) model for the inclusion of solvent effects in time dependent density functional theory (TD-DFT) computations of excited electronic states has been developed and coded in the framework of the so-called polarizable continuum model (PCM). Different relaxation time regimes can be treated thus giving access to a number of different spectroscopic properties together with solvent relaxation energies of paramount relevance in electron transfer processes. SS and conventional linear response (LR) models have been compared for two benchmark systems (coumarin 153 and formaldehyde in different solvents) and in the limiting simple case of a dipolar solute embedded in a spherical cavity. The results point out the complementarity of LR and SS approaches and the advantages of the latter model especially for polar solvents. The favorable scaling properties of PCM-TD-DFT models in both SS and LR variants and their availability in effective quantum mechanical codes pave the route for the computation of reliable spectroscopic properties of large molecules of technological and/or biological interest in their natural environments. © 2006 American Institute of Physics.
An effective state specific (SS) model for the inclusion of solvent effects in time dependent density functional theory (TD-DFT) computations of excited electronic states has been developed and coded in the framework of the so-called polarizable continuum model (PCM). Different relaxation time regimes can be treated thus giving access to a number of different spectroscopic properties together with solvent relaxation energies of paramount relevance in electron transfer processes. SS and conventional linear response (LR) models have been compared for two benchmark systems (coumarin 153 and formaldehyde in different solvents) and in the limiting simple case of a dipolar solute embedded in a spherical cavity. The results point out the complementarity of LR and SS approaches and the advantages of the latter model especially for polar solvents. The favorable scaling properties of PCM-TD-DFT models in both SS and LR variants and their availability in effective quantum mechanical codes pave the route for the computation of reliable spectroscopic properties of large molecules of technological and/or biological interest in their natural environments. © 2006 American Institute of Physics.
A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution
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A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution
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Santoro F, Barone V, Gustavsson T, Improta R
* Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water (400 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.
Impact Factor: 7.696
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Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V, Improta R
* Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives (467 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jan 18; 128(2): 607-619.
Impact Factor: 7.696
View Export to BibTeX Export to EndNote
Cimino P, Improta R, Bifulco G, Riccio R, Gomez-paloma L, Barone V
* Nucleophilic Cyclopropane Ring Opening in Duocarmycin SA Derivatives by Methanol under Acid Conditions: A Quantum Mechanical Study in the Gas-Phase and in Solution (445 views)
J Org Chem (ISSN: 0022-3263, 0022-3263linking), 2004; 69(8): 2816-2824.
Impact Factor: 3.462
View Export to BibTeX Export to EndNote
* Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water (400 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.
Impact Factor: 7.696
View Export to BibTeX Export to EndNote
Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V, Improta R
* Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives (467 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jan 18; 128(2): 607-619.
Impact Factor: 7.696
View Export to BibTeX Export to EndNote
Cimino P, Improta R, Bifulco G, Riccio R, Gomez-paloma L, Barone V
* Nucleophilic Cyclopropane Ring Opening in Duocarmycin SA Derivatives by Methanol under Acid Conditions: A Quantum Mechanical Study in the Gas-Phase and in Solution (445 views)
J Org Chem (ISSN: 0022-3263, 0022-3263linking), 2004; 69(8): 2816-2824.
Impact Factor: 3.462
View Export to BibTeX Export to EndNote
3 Records (3 excluding Abstracts).
Total impact factor: 18.854 (18.854 excluding Abstracts).
Total 5 year impact factor: 26.206 (26.206 excluding Abstracts).
Total impact factor: 18.854 (18.854 excluding Abstracts).
Total 5 year impact factor: 26.206 (26.206 excluding Abstracts).
332 views. Last view on Friday 17 March 2023, 10:45:53
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