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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
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
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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

Scalmani, Giovanni ; Frisch, Michael J ; Mennucci, Benedetta ; Tomasi, Jacopo ; Cammi, Roberto ; Barone, Vincenzo

The Journal of chemical physics, 2006-03, Vol.124 (9), p.94107-94107 [Periódico revisado por pares]

United States

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2
Formation and relaxation of excited states in solution: a new time dependent polarizable continuum model based on time dependent density functional theory
Formation and relaxation of excited states in solution: a new time dependent polarizable continuum model based on time dependent density functional theory
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Formation and relaxation of excited states in solution: a new time dependent polarizable continuum model based on time dependent density functional theory

Caricato, Marco ; Mennucci, Benedetta ; Tomasi, Jacopo ; Ingrosso, Francesca ; Cammi, Roberto ; Corni, Stefano ; Scalmani, Giovanni

The Journal of chemical physics, 2006-03, Vol.124 (12), p.124520-124520 [Periódico revisado por pares]

United States: American Institute of Physics

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3
Ab initio study of ionic solutions by a polarizable continuum dielectric model
Ab initio study of ionic solutions by a polarizable continuum dielectric model
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Ab initio study of ionic solutions by a polarizable continuum dielectric model

Cossi, Maurizio ; Barone, Vincenzo ; Mennucci, Benedetta ; Tomasi, Jacopo

Chemical physics letters, 1998-04, Vol.286 (3), p.253-260 [Periódico revisado por pares]

Elsevier B.V

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4
Excitation energy transfer (EET) between molecules in condensed matter: a novel application of the polarizable continuum model (PCM)
Excitation energy transfer (EET) between molecules in condensed matter: a novel application of the polarizable continuum model (PCM)
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Excitation energy transfer (EET) between molecules in condensed matter: a novel application of the polarizable continuum model (PCM)

Iozzi, Maria Francesca ; Mennucci, Benedetta ; Tomasi, Jacopo ; Cammi, Roberto

The Journal of chemical physics, 2004-04, Vol.120 (15), p.7029-7040 [Periódico revisado por pares]

United States

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5
On the Photophysics of Carotenoids: A Multireference DFT Study of Peridinin
On the Photophysics of Carotenoids: A Multireference DFT Study of Peridinin
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On the Photophysics of Carotenoids: A Multireference DFT Study of Peridinin

Knecht, Stefan ; Marian, Christel M ; Kongsted, Jacob ; Mennucci, Benedetta

The journal of physical chemistry. B, 2013-11, Vol.117 (44), p.13808-13815 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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6
Excited-State Decay Pathways of Molecular Rotors: Twisted Intermediate or Conical Intersection?
Excited-State Decay Pathways of Molecular Rotors: Twisted Intermediate or Conical Intersection?
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Excited-State Decay Pathways of Molecular Rotors: Twisted Intermediate or Conical Intersection?

Suhina, Tomislav ; Amirjalayer, Saeed ; Mennucci, Benedetta ; Woutersen, Sander ; Hilbers, Michiel ; Bonn, Daniel ; Brouwer, Albert M

The journal of physical chemistry letters, 2016-11, Vol.7 (21), p.4285-4290 [Periódico revisado por pares]

United States: American Chemical Society

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7
How to Model Solvation of Peptides? Insights from a Quantum-mechanical and Molecular Dynamics Study of N-Methylacetamide. 1. Geometries, Infrared, and Ultraviolet Spectra in Water
How to Model Solvation of Peptides? Insights from a Quantum-mechanical and Molecular Dynamics Study of N-Methylacetamide. 1. Geometries, Infrared, and Ultraviolet Spectra in Water
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How to Model Solvation of Peptides? Insights from a Quantum-mechanical and Molecular Dynamics Study of N-Methylacetamide. 1. Geometries, Infrared, and Ultraviolet Spectra in Water

Mennucci, Benedetta ; Martínez, José M

The journal of physical chemistry. B, 2005-05, Vol.109 (19), p.9818-9829 [Periódico revisado por pares]

United States: American Chemical Society

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8
Solvent Effects on Nuclear Shieldings:  Continuum or Discrete Solvation Models To Treat Hydrogen Bond and Polarity Effects?
Solvent Effects on Nuclear Shieldings:  Continuum or Discrete Solvation Models To Treat Hydrogen Bond and Polarity Effects?
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Solvent Effects on Nuclear Shieldings:  Continuum or Discrete Solvation Models To Treat Hydrogen Bond and Polarity Effects?

Mennucci, Benedetta ; Martínez, José M ; Tomasi, Jacopo

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-08, Vol.105 (30), p.7287-7296 [Periódico revisado por pares]

American Chemical Society

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9
An integrated effective fragment—polarizable continuum approach to solvation: Theory and application to glycine
An integrated effective fragment—polarizable continuum approach to solvation: Theory and application to glycine
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An integrated effective fragment—polarizable continuum approach to solvation: Theory and application to glycine

Bandyopadhyay, Pradipta ; Gordon, Mark S. ; Mennucci, Benedetta ; Tomasi, Jacopo

The Journal of chemical physics, 2002-03, Vol.116 (12), p.5023-5032 [Periódico revisado por pares]

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10
A time-dependent polarizable continuum model: theory and application
A time-dependent polarizable continuum model: theory and application
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A time-dependent polarizable continuum model: theory and application

Caricato, Marco ; Ingrosso, Francesca ; Mennucci, Benedetta ; Tomasi, Jacopo

The Journal of chemical physics, 2005-04, Vol.122 (15), p.154501-154501 [Periódico revisado por pares]

United States: American Institute of Physics

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