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List of works by Roberto Cammi

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Quantum mechanical continuum solvation models.

scientific article
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

scientific article published in March 2006
Formation and relaxation of excited states in solution: a new time dependent polarizable continuum model based on time dependent density functional theory.

scientific article published in March 2006
Electronic excitation energies of molecules in solution: State specific and linear response methods for nonequilibrium continuum solvation models

article
Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model

article
Electronic excitation energies of molecules in solution within continuum solvation models: Investigating the discrepancy between state-specific and linear-response methods

article
Calculation of pKa values of nucleobases and the guanine oxidation products guanidinohydantoin and spiroiminodihydantoin using density functional theory and a polarizable continuum model.

scientific article
How Solvent Controls Electronic Energy Transfer and Light Harvesting

scientific article published on 06 June 2007
Excitation energy transfer (EET) between molecules in condensed matter: a novel application of the polarizable continuum model (PCM).

scientific article
Molecular properties in solution described with a continuum solvation model

article
How solvent controls electronic energy transfer and light harvesting: toward a quantum-mechanical description of reaction field and screening effects

article
Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory

article
Modeling solvent effects on chiroptical properties

article
A second-order, quadratically convergent multiconfigurational self-consistent field polarizable continuum model for equilibrium and nonequilibrium solvation

article
A polarizable continuum model for molecules at diffuse interfaces.

scientific article published in February 2004
How the environment controls absorption and fluorescence spectra of PRODAN: a quantum-mechanical study in homogeneous and heterogeneous media.

scientific article published on 16 November 2007
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

article
Quantum cluster theory for the polarizable continuum model. I. The CCSD level with analytical first and second derivatives.

scientific article published in October 2009
The Cotton–Mouton effect of furan and its homologues in the gas phase, for the pure liquids and in solution

article published in 2003
Calculation and analysis of the harmonic vibrational frequencies in molecules at extreme pressure: Methodology and diborane as a test case

article
Quantum Mechanical Polarizable Continuum Model Approach to the Kerr Effect of Pure Liquids

scientific article published in October 2005
Towards the elaboration of a QM method to describe molecular solutes under the effect of a very high pressure

article by Roberto Cammi et al published February 2008 in Chemical Physics
Ultrafast light harvesting dynamics in the cryptophyte phycocyanin 645.

scientific article published on 12 July 2007
The cavity electromagnetic field within the polarizable continuum model of solvation.

scientific article
Nonequilibrium solvation for vertical photoemission and photoabsorption processes using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model

scientific article published on 01 March 2011
The Effect of Pressure on Organic Reactions in Fluids-a New Theoretical Perspective.

scientific article
A new extension of the polarizable continuum model: Toward a quantum chemical description of chemical reactions at extreme high pressure

scientific article published on November 15, 2015
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase

scientific article published on 21 December 2006
Cavity field effects within a polarizable continuum model of solvation: Application to the calculation of electronic circular dichroism spectra of R-(+)-3-methyl-cyclopentanone

article
Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: application to real-time TDDFT.

scientific article published on 23 December 2014
Synthesis, structure, and electrochemical properties of copper(I) complexes with S/N homoscorpionate and heteroscorpionate ligands.

scientific article published in June 2005
Vibrational Frequencies of Fullerenes C60and C70under Pressure Studied with a Quantum Chemical Model Including Spatial Confinement Effects

scientific article published on June 27, 2014
Excitonic splitting in conjugated molecular materials: A quantum mechanical model including interchain interactions and dielectric effects

article
Modeling Molecular Systems at Extreme Pressure by an Extension of the Polarizable Continuum Model (PCM) Based on the Symmetry-Adapted Cluster-Configuration Interaction (SAC-CI) Method: Confined Electronic Excited States of Furan as a Test Case

scientific article published on 28 April 2015
New developments in the symmetry-adapted algorithm of the Polarizable Continuum Model

scientific article published in February 2004
Calculation of nonlinear optical susceptibilities of pure liquids within the Polarizable Continuum Model: the effect of the macroscopic nonlinear polarization at the output frequency

article
Absolute stereochemistry and preferred conformations of urate degradation intermediates from computed and experimental circular dichroism spectra

scientific article published on 07 June 2011
Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme-Pressure Polarizable Continuum Model

scientific article published on 22 September 2018
Modern Theories of Continuum Models

Structure versus solvent effects on nonlinear optical properties of push-pull systems: a quantum-mechanical study based on a polarizable continuum model.

scientific article published in December 2009
From Molecular Electrostatic Potentials to Solvation Models and Ending with Biomolecular Photophysical Processes

Infrared linear dichroism in stretched films: Quantum mechanical approach within the polarizable continuum model

article
The virial theorem for the Polarizable Continuum Model.

scientific article published in February 2014
On the reaction of Ph2PNHPPh2 with RNCS (R=Et, Ph, p-NO2C6H4): preparation of the zwitterionic ligand EtNHC(S)Ph2P==NPPh2C(S)NEt (HSNS) and the zwitterionic metalate [(SNS)Rh(CO)].

scientific article published in May 2005
Modelling vibrational coupling in DNA oligomers: a computational strategy combining QM and continuum solvation models

article
Cu(I) dinuclear complexes with tripodal ligands vs monodentate donors: triphenylphosphine, thiourea, and pyridine. A 1H NMR titration study

scientific article published on 01 April 2006
Linear chains of hydrogen molecules under pressure: An extreme-pressure continuum model study

scientific article published on 01 April 2019
Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: Application to time-dependent CI.

scientific article published in February 2017
Correction: Absolute stereochemistry and preferred conformations of urate degradation intermediates from computed and experimental circular dichroism spectra

scientific article published on 16 March 2016
The Role of Computational Chemistry in the Experimental Determination of the Dipole Moment of Molecules in Solution

scientific article published on 27 June 2019

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