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Mennucci, Benedetta, Cappelli, Chiara, Guido, Ciro Achille, Cammi, Roberto, Tomasi, Jacopo (2009) Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory. The Journal of Physical Chemistry A, 113 (13). 3009-3020 doi:10.1021/jp8094853

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Reference TypeJournal (article/letter/editorial)
TitleStructures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory
JournalThe Journal of Physical Chemistry A
AuthorsMennucci, BenedettaAuthor
Cappelli, ChiaraAuthor
Guido, Ciro AchilleAuthor
Cammi, RobertoAuthor
Tomasi, JacopoAuthor
Year2009 (April 2)Volume113
Issue13
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp8094853Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID3954872Long-form Identifiermindat:1:5:3954872:6
GUID0
Full ReferenceMennucci, Benedetta, Cappelli, Chiara, Guido, Ciro Achille, Cammi, Roberto, Tomasi, Jacopo (2009) Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory. The Journal of Physical Chemistry A, 113 (13). 3009-3020 doi:10.1021/jp8094853
Plain TextMennucci, Benedetta, Cappelli, Chiara, Guido, Ciro Achille, Cammi, Roberto, Tomasi, Jacopo (2009) Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory. The Journal of Physical Chemistry A, 113 (13). 3009-3020 doi:10.1021/jp8094853
In(2009, April) The Journal of Physical Chemistry A Vol. 113 (13) American Chemical Society (ACS)

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Scalmani, Giovanni, Frisch, Michael J., Mennucci, Benedetta, Tomasi, Jacopo, Cammi, Roberto, Barone, Vincenzo (2006) Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model. The Journal of Chemical Physics, 124 (9). 94107pp. doi:10.1063/1.2173258
Caricato, Marco, Mennucci, Benedetta, Tomasi, Jacopo, Ingrosso, Francesca, Cammi, Roberto, Corni, Stefano, Scalmani, Giovanni (2006) Formation and relaxation of excited states in solution: A new time dependent polarizable continuum model based on time dependent density functional theory. The Journal of Chemical Physics, 124 (12). 124520pp. doi:10.1063/1.2183309
Cappelli, Chiara, Corni, Stefano, Cammi, Roberto, Mennucci, Benedetta, Tomasi, Jacopo (2000) Nonequilibrium formulation of infrared frequencies and intensities in solution: Analytical evaluation within the polarizable continuum model. The Journal of Chemical Physics, 113 (24). 11270-11279 doi:10.1063/1.1328070
Tomasi, Jacopo, Cammi, Roberto, Mennucci, Benedetta, Cappelli, Chiara, Corni, Stefano (2002) Molecular properties in solution described with a continuum solvation model. Physical Chemistry Chemical Physics, 4 (23). 5697-5712 doi:10.1039/b207281p
Cammi, Roberto, Cappelli, Chiara, Corni, Stefano, Tomasi, Jacopo (2002) On the Calculation of Infrared Intensities in Solution within the Polarizable Continuum Model. The Journal of Physical Chemistry A, 106 (26). 6426 doi:10.1021/jp021146i
Cappelli, Chiara, Corni, Stefano, Mennucci, Benedetta, Cammi, Roberto, Tomasi, Jacopo (2002) Vibrational Circular Dichroism within the Polarizable Continuum Model:  A Theoretical Evidence of Conformation Effects and Hydrogen Bonding for (S)-(−)-3-Butyn-2-ol in CCl4Solution. The Journal of Physical Chemistry A, 106 (51). 12331-12339 doi:10.1021/jp021273e
Cammi, Roberto, Mennucci, Benedetta, Tomasi, Jacopo (1999) Second-Order Møller−Plesset Analytical Derivatives for the Polarizable Continuum Model Using the Relaxed Density Approach. The Journal of Physical Chemistry A, 103 (45). 9100-9108 doi:10.1021/jp991564w
Cammi, Roberto, Cappelli, Chiara, Corni, Stefano, Tomasi, Jacopo (2000) On the Calculation of Infrared Intensities in Solution within the Polarizable Continuum Model. The Journal of Physical Chemistry A, 104 (44). 9874-9879 doi:10.1021/jp001749z
Corni, Stefano, Cappelli, Chiara, Cammi, Roberto, Tomasi, Jacopo (2001) Theoretical Approach to the Calculation of Vibrational Raman Spectra in Solution within the Polarizable Continuum Model. The Journal of Physical Chemistry A, 105 (36). 8310-8316 doi:10.1021/jp011079c
Corozzi, Alessandro, Mennucci, Benedetta, Cammi, Roberto, Tomasi, Jacopo (2009) Structure versus Solvent Effects on Nonlinear Optical Properties of Push−Pull Systems: A Quantum-Mechanical Study Based on a Polarizable Continuum Model†. The Journal of Physical Chemistry A, 113 (52). 14774-14784 doi:10.1021/jp904906n
Cappelli, Chiara, Mennucci, Benedetta, Cammi, Roberto, Rizzo, Antonio (2005) Quantum Mechanical Polarizable Continuum Model Approach to the Kerr Effect of Pure Liquids. The Journal of Physical Chemistry B, 109 (39). 18706-18714 doi:10.1021/jp053097q
 
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