Roberto Cammi

发表

A Symmetry adapted tessellation of the GEPOL surface: applications to molecular properties in solution

Christian Silvio Pomelli, Jacopo Tomasi, Roberto Cammi, 2001, Journal of Computational Chemistry.

New developments in the symmetry‐adapted algorithm of the Polarizable Continuum Model

Christian Silvio Pomelli, Jacopo Tomasi, Roberto Cammi, 2004, J. Comput. Chem..

Remarks on the use of the apparent surface charges (ASC) methods in solvation problems: Iterative versus matrix‐inversion procedures and the renormalization of the apparent charges

Jacopo Tomasi, Roberto Cammi, J. Tomasi, 1995, J. Comput. Chem..

The calculation of excited-state polarizabilities of solvated molecules

Roberto Cammi, Luca Frediani, Benedetta Mennucci, 2004, J. Comput. Methods Sci. Eng..

Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme‐Pressure Polarizable Continuum Model

Roberto Cammi, Martin Rahm, Bo Chen, 2018, J. Comput. Chem..

On the evaluation of the solvent polarization apparent charges in the polarizable continuum model: A new formulation

Jacopo Tomasi, Roberto Cammi, Elena Laura Coitiño, 1995, J. Comput. Chem..

SYMMETRY: A Computer Program for the Analysis of the Distortions of the MX6(Oh) and MXa(Td) Complexes in Crystalline Environments

Roberto Cammi, Enrico Cavalli, 1994, Comput. Chem..

The Role of Computational Chemistry in the Experimental Determination of the Dipole Moment of Molecules in Solution

Roberto Cammi, R. Cammi, 2019, J. Comput. Chem..

Analytical first derivatives of molecular surfaces with respect to nuclear coordinates

Roberto Cammi, Benedetta Mennucci, Maurizio Cossi, 1996, J. Comput. Chem..

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

Roberto Cammi, R. Cammi, 2015, J. Comput. Chem..

Second-Order Møller-Plesset Analytical Derivatives for the Polarizable Continuum Model Using the Relaxed Density Approach

Jacopo Tomasi, Roberto Cammi, Benedetta Mennucci, 1999 .

Analytical free energy second derivatives with respect to nuclear coordinates: Complete formulation for electrostatic continuum solvation models

Jacopo Tomasi, Roberto Cammi, Benedetta Mennucci, 1999 .

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

Jacopo Tomasi, Roberto Cammi, Luca Frediani, 2002 .

On the Calculation of Infrared Intensities in Solution within the Polarizable Continuum Model

Jacopo Tomasi, Roberto Cammi, Chiara Cappelli, 2000 .

Electronic excitation spectra of molecules in solution calculated using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model with perturbative approach.

Masahiro Ehara, Roberto Cammi, Ryoichi Fukuda, 2014, The Journal of chemical physics.

Quantum Mechanical Continuum Solvation Models

Jacopo Tomasi, Roberto Cammi, J. Tomasi, 2005 .

From Molecular Electrostatic Potentials to Solvation Models and Ending with Biomolecular Photophysical Processes

Jacopo Tomasi, Roberto Cammi, Benedetta Mennucci, 2010 .

Modeling solvent effects on chiroptical properties.

Jacopo Tomasi, Roberto Cammi, Benedetta Mennucci, 2011, Chirality.

Analytical derivatives for molecular solutes. II. Hartree–Fock energy first and second derivatives with respect to nuclear coordinates

Jacopo Tomasi, Roberto Cammi, J. Tomasi, 1994 .

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

Jacopo Tomasi, Roberto Cammi, Benedetta Mennucci, 2004, Journal of Chemical Physics.

Molecular properties in solution described with a continuum solvation model

Jacopo Tomasi, Roberto Cammi, Benedetta Mennucci, 2002 .

Analytical derivatives for molecular solutes. I. Hartree–Fock energy first derivatives with respect to external parameters in the polarizable continuum model

Jacopo Tomasi, Roberto Cammi, J. Tomasi, 1994 .

Quantum-Mechanical Continuum Solvation Study of the Polarizability of Halides at the Water/Air Interface

Roberto Cammi, Luca Frediani, Benedetta Mennucci, 2004 .

On the Calculation of Local Field Factors for Microscopic Static Hyperpolarizabilities of Molecules in Solution with the Aid of Quantum-Mechanical Methods

Jacopo Tomasi, Roberto Cammi, Benedetta Mennucci, 1998 .

An attempt to bridge the gap between computation and experiment for nonlinear optical properties: Macroscopic susceptibilities in solution

Jacopo Tomasi, Roberto Cammi, Benedetta Mennucci, 2000 .

Cavity field effects within a polarizable continuum model of solvation: Application to the calculation of electronic circular dichroism spectra of R‐(+)‐3‐methyl‐cyclopentanone

Jacopo Tomasi, Roberto Cammi, Antonio Rizzo, 2011 .

MEP: a tool for interpretation and prediction. From molecular structure to solvation effects

Jacopo Tomasi, Roberto Cammi, Benedetta Mennucci, 1996 .

A polarizable continuum model for molecules at diffuse interfaces.

Jacopo Tomasi, Roberto Cammi, Luca Frediani, 2004, The Journal of chemical physics.

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

Christian Silvio Pomelli, Jacopo Tomasi, Roberto Cammi, 1998 .

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

Roberto Cammi, Benedetta Mennucci, Carles Curutchet, 2007, The journal of physical chemistry. B.

Quantum mechanical polarizable continuum model approach to the Kerr effect of pure liquids.

Roberto Cammi, Antonio Rizzo, Benedetta Mennucci, 2005, The journal of physical chemistry. B.

Vibrational circular dichroism within the polarizable continuum model: a theoretical evidence of conformation effects and hydrogen bonding for (S)-(-)-3-butyn-2-ol in CCl4 solution

Jacopo Tomasi, Roberto Cammi, Benedetta Mennucci, 2002 .

Excited states and solvatochromic shifts within a nonequilibrium solvation approach: A new formulation of the integral equation formalism method at the self-consistent field, configuration interaction, and multiconfiguration self-consistent field level

Jacopo Tomasi, Roberto Cammi, Benedetta Mennucci, 1998 .

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

Roberto Cammi, Stefano Corni, Silvio Pipolo, 2015, The journal of physical chemistry. A.

Theoretical chemistry in solution. Some results and perspectives of the continuum methods and in particular of the polarizable continuum model

Jacopo Tomasi, Roberto Cammi, R. Bonaccorsi, 1991 .

Symmetry-adapted cluster and symmetry-adapted cluster-configuration interaction method in the polarizable continuum model: theory of the solvent effect on the electronic excitation of molecules in solution.

Masahiro Ehara, Hiroshi Nakatsuji, Roberto Cammi, 2010, The Journal of chemical physics.

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.

Jacopo Tomasi, Roberto Cammi, Giovanni Scalmani, 2006, The Journal of chemical physics.

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

Jacopo Tomasi, Roberto Cammi, Giovanni Scalmani, 2006, The Journal of chemical physics.

Mononuclear and polynuclear copper(I) complexes with a new N,N',S-donor ligand and with structural analogies to the copper thionein core.

Roberto Cammi, R. Cammi, M. Lanfranchi, 2007, Inorganic chemistry.

The Cotton–Mouton effect of furan and its homologues in the gas phase, for the pure liquids and in solution

Jacopo Tomasi, Roberto Cammi, Antonio Rizzo, 2003 .

Counterpoise corrections to the interaction energy components in bimolecular complexes

Jacopo Tomasi, Roberto Cammi, R. Bonaccorsi, 1985 .

Continuum Solvation Models in Chemical Physics

Roberto Cammi, Benedetta Mennucci, B. Mennucci, 2007 .

How solvent controls electronic energy transfer and light harvesting.

Jacopo Tomasi, Roberto Cammi, Benedetta Mennucci, 2007, The journal of physical chemistry. B.

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

Masahiro Ehara, Hiroshi Nakatsuji, Roberto Cammi, 2011, The Journal of chemical physics.

Analytical first derivatives of molecular surfaces with respect to nuclear coordinates

Roberto Cammi, Benedetta Mennucci, Maurizio Cossi, 1996, J. Comput. Chem..

Theoretical Approach to the Calculation of Vibrational Raman Spectra in Solution within the Polarizable Continuum Model

Jacopo Tomasi, Roberto Cammi, Chiara Cappelli, 2001 .

Fast Evaluation of Geometries and Properties of Excited Molecules in Solution: A Tamm-Dancoff Model with Application to 4-Dimethylaminobenzonitrile

Jacopo Tomasi, Roberto Cammi, J. Tomasi, 2000 .

Continuum solvation models in chemical physics : from theory to applications

Roberto Cammi, Benedetta Mennucci, B. Mennucci, 2007 .