Roberto Cammi

Roberto Cammi's AcademicInfluence.com Rankings

Roberto Cammi

Chemistry

#3933

World Rank

#4983

Historical Rank

Organic Chemistry

#625

World Rank

#716

Historical Rank

chemistry Degrees

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Chemistry

Roberto Cammi's Degrees

Bachelors Chemistry University of Milan
Masters Chemistry University of Milan
PhD Chemistry University of Milan

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Roberto Cammi's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Quantum mechanical continuum solvation models. (2005) (11376)
Ab initio study of solvated molecules: A new implementation of the polarizable continuum model (1996) (2461)
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. (2006) (1055)
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 (1995) (998)
Quantum Mechanical Continuum Solvation Models (2005) (744)
Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules (2002) (509)
Fast Evaluation of Geometries and Properties of Excited Molecules in Solution: A Tamm-Dancoff Model with Application to 4-Dimethylaminobenzonitrile (2000) (432)
Formation and relaxation of excited states in solution: a new time dependent polarizable continuum model based on time dependent density functional theory. (2006) (421)
Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model (1998) (329)
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 (1998) (288)
Linear response theory for the polarizable continuum model (1999) (243)
Electronic excitation energies of molecules in solution: state specific and linear response methods for nonequilibrium continuum solvation models. (2005) (238)
Molecular properties in solution described with a continuum solvation model (2002) (225)
Continuum Solvation Models in Chemical Physics (2007) (193)
Second-Order Møller-Plesset Analytical Derivatives for the Polarizable Continuum Model Using the Relaxed Density Approach (1999) (187)
Electronic excitation energies of molecules in solution within continuum solvation models: investigating the discrepancy between state-specific and linear-response methods. (2005) (172)
Calculation of pKa values of nucleobases and the guanine oxidation products guanidinohydantoin and spiroiminodihydantoin using density functional theory and a polarizable continuum model. (2008) (163)
Structures and properties of electronically excited chromophores in solution from the polarizable continuum model coupled to the time-dependent density functional theory. (2009) (152)
How solvent controls electronic energy transfer and light harvesting. (2007) (150)
Continuum solvation models in chemical physics : from theory to applications (2007) (138)
Excitation energy transfer (EET) between molecules in condensed matter: a novel application of the polarizable continuum model (PCM). (2004) (135)
Theoretical chemistry in solution. Some results and perspectives of the continuum methods and in particular of the polarizable continuum model (1991) (132)
Mechanistic insights into cobalt( II / III )-catalyzed C – H oxidation: a combined theoretical and experimental study † (2015) (120)
Analytical derivatives for molecular solutes. III. Hartree–Fock static polarizability and hyperpolarizabilities in the polarizable continuum model (1996) (117)
Analytical Hartree–Fock calculation of the dynamical polarizabilities α, β, and γ of molecules in solution (1996) (116)
How solvent controls electronic energy transfer and light harvesting: toward a quantum-mechanical description of reaction field and screening effects. (2007) (108)
Analytical derivatives for molecular solutes. I. Hartree–Fock energy first derivatives with respect to external parameters in the polarizable continuum model (1994) (99)
An attempt to bridge the gap between computation and experiment for nonlinear optical properties: Macroscopic susceptibilities in solution (2000) (97)
Squeezing all Elements in the Periodic Table: Electron Configuration and Electronegativity of the Atoms under Compression. (2019) (96)
Multiconfigurational self-consistent field linear response for the polarizable continuum model: Theory and application to ground and excited-state polarizabilities of para-nitroaniline in solution (2003) (94)
Modeling solvent effects on chiroptical properties. (2011) (94)
Analytical first derivatives of molecular surfaces with respect to nuclear coordinates (1996) (94)
On the Calculation of Local Field Factors for Microscopic Static Hyperpolarizabilities of Molecules in Solution with the Aid of Quantum-Mechanical Methods (1998) (93)
Nonequilibrium solvation theory for the polarizable continuum model: A new formulation at the SCF level with application to the case of the frequency‐dependent linear electric response function (1995) (86)
Analytical free energy second derivatives with respect to nuclear coordinates: Complete formulation for electrostatic continuum solvation models (1999) (86)
Solvent Effects on Linear and Nonlinear Optical Properties of Donor−Acceptor Polyenes: Investigation of Electronic and Vibrational Components in Terms of Structure and Charge Distribution Changes (1998) (85)
Nuclear magnetic shieldings in solution: Gauge invariant atomic orbital calculation using the polarizable continuum model (1999) (80)
Analytical derivatives for molecular solutes. II. Hartree–Fock energy first and second derivatives with respect to nuclear coordinates (1994) (75)
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 (2002) (71)
Medium effects on the properties of chemical systems: An overview of recent formulations in the polarizable continuum model (PCM) (1999) (71)
Quantum cluster theory for the polarizable continuum model. I. The CCSD level with analytical first and second derivatives. (2009) (70)
On the Calculation of Infrared Intensities in Solution within the Polarizable Continuum Model (2000) (69)
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. (2010) (69)
A polarizable continuum model for molecules at diffuse interfaces. (2004) (64)
The Effect of Pressure on Organic Reactions in Fluids-a New Theoretical Perspective. (2017) (61)
Ultrafast light harvesting dynamics in the cryptophyte phycocyanin 645. (2007) (60)
How the environment controls absorption and fluorescence spectra of PRODAN: a quantum-mechanical study in homogeneous and heterogeneous media. (2008) (59)
The Hartree–Fock calculation of the magnetic properties of molecular solutes (1998) (58)
A second-order, quadratically convergent multiconfigurational self-consistent field polarizable continuum model for equilibrium and nonequilibrium solvation (2002) (58)
Calculation and analysis of the harmonic vibrational frequencies in molecules at extreme pressure: methodology and diborane as a test case. (2012) (56)
Counterpoise corrections to the interaction energy components in bimolecular complexes (1985) (53)
Towards the elaboration of a QM method to describe molecular solutes under the effect of a very high pressure (2008) (53)
Nonequilibrium formulation of infrared frequencies and intensities in solution: Analytical evaluation within the polarizable continuum model (2000) (51)
Solvent Effects on the Indirect Spin–Spin Coupling Constants of Benzene: The DFT-PCM Approach (2003) (50)
Nonequilibrium solvation for vertical photoemission and photoabsorption processes using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model. (2011) (49)
Theoretical Approach to the Calculation of Vibrational Raman Spectra in Solution within the Polarizable Continuum Model (2001) (47)
Medium effects on the properties of chemical systems: Electric and magnetic response of donor–acceptor systems within the polarizable continuum model (1999) (45)
On the evaluation of the solvent polarization apparent charges in the polarizable continuum model: A new formulation (1995) (44)
Comprar Continuum Solvation Models in Chemical Physics: Theory and Applications | Benedetta Mennucci | 9780470029381 | Wiley (2007) (43)
Mechanistic insights into acetophenone transfer hydrogenation catalyzed by half-sandwich ruthenium(II) complexes containing 2-(diphenylphosphanyl)aniline - a combined experimental and theoretical study (2008) (42)
Coupled‐cluster theories for the polarizable continuum model. II. Analytical gradients for excited states of molecular solutes by the equation of motion coupled‐cluster method (2010) (38)
Vibrational frequencies of fullerenes C60 and C70 under pressure studied with a quantum chemical model including spatial confinement effects. (2014) (38)
Modern Theories of Continuum Models (2007) (38)
A new extension of the polarizable continuum model: Toward a quantum chemical description of chemical reactions at extreme high pressure (2015) (37)
Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: application to real-time TDDFT. (2015) (37)
The effect of «full» and «limited» counterpoise corrections with different basis sets on the energy and the equilibrium distance of hydrogen bonded dimers (1987) (36)
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase (2007) (35)
Structure versus solvent effects on nonlinear optical properties of push-pull systems: a quantum-mechanical study based on a polarizable continuum model. (2009) (31)
The Cotton–Mouton effect of furan and its homologues in the gas phase, for the pure liquids and in solution (2003) (31)
Molecular Response Functions for the Polarizable Continuum Model: Physical basis and quantum mechanical formalism (2013) (30)
Electron correlation and solvation effects (1991) (29)
Coupled‐cluster theory for the polarizable continuum model. III. A response theory for molecules in solution (2012) (27)
Quantum-Mechanical Continuum Solvation Study of the Polarizability of Halides at the Water/Air Interface (2004) (26)
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. (2015) (26)
The decomposition of the SCF interaction energy in hydrogen bonded dimers corrected for basis set superposition errors: An examination of the basis set dependence (1987) (26)
On the ab initio geometry optimization of molecular solutes (1991) (25)
Analytical expressions of the free energy derivatives for molecules in solution. Application to the geometry optimization (1995) (24)
Decomposition of the interaction energy with counterpoise corrections to the basis set superposition error for dimers in solution. Method and application to the hydrogen fluoride dimer (1988) (24)
Decomposition of the interaction energy between metal cations and water or ammonia with inclusion of counterpoise corrections to the interaction energy terms (1989) (24)
Quantum mechanical polarizable continuum model approach to the Kerr effect of pure liquids. (2005) (24)
Synthesis and molecular structure of the dihydrobis(thioxotriazolinyl)borato complexes of zinc(II), bismuth(III), and nickel(II). M...H-B interaction studied by Ab initio calculations. (2003) (23)
Synthesis, structure, and electrochemical properties of copper(I) complexes with S/N homoscorpionate and heteroscorpionate ligands. (2005) (21)
Counterpoise corrections to the evaluation of the bimolecular interaction energy components (1986) (21)
Time‐dependent variational principle for nonlinear Hamiltonians and its application to molecules in the liquid phase (1996) (21)
Solvent Effects on15N NMR Shielding of 1,2,4,5-Tetrazine and Isomeric Tetrazoles: Continuous Set Gauge Transformation Calculation Using the Polarizable Continuum Model (2000) (21)
Counterpoise corrections to the components of bimolecular energy interactions: An examination of three methods of decomposition (1986) (21)
The cavity electromagnetic field within the polarizable continuum model of solvation. (2014) (21)
A Symmetry adapted tessellation of the GEPOL surface: applications to molecular properties in solution (2001) (21)
Metal ion interactions with water and ammonia (1989) (20)
Cavity field effects within a polarizable continuum model of solvation: Application to the calculation of electronic circular dichroism spectra of R‐(+)‐3‐methyl‐cyclopentanone (2011) (20)
An ab initio time-dependent Hartree–Fock study of solvent effects on the polarizability and second hyperpolarizability of polyacetylene chains within the polarizable continuum model (1998) (19)
Solvent and vibrational effects on molecular electric properties. Static and dynamic polarizability and hyperpolarizabilities of urea in water (1998) (19)
Ab initio model to predict NMR shielding tensors for solutes in liquid crystals (2003) (18)
MEP: a tool for interpretation and prediction. From molecular structure to solvation effects (1996) (17)
The cavity electromagnetic field within the polarizable continuum model of solvation: An application to the real-time time dependent density functional theory (2014) (16)
A Reappraisal of the Hydrogen Bonding Interaction Obtained by Combining Energy Decomposition Analyses and Counterpoise Corrections (1988) (16)
Exceptionally low charge trapping enables highly efficient organic bulk heterojunction solar cells (2020) (15)
Solvent effects on static and dynamic polarizability and hyperpolarizabilities of acetonitrile (1997) (15)
Noncovalent interactions of medium strength. A revised interpretation and examples of its applications (1989) (15)
Diels-Alder Cycloaddition of Cyclopentadiene and C60 at the Extreme High Pressure. (2017) (14)
Optical absorption and fluorescence of PRODAN in solution: Quantum chemical study based on the symmetry-adapted cluster-configuration interaction method (2012) (14)
Mononuclear and polynuclear copper(I) complexes with a new N,N',S-donor ligand and with structural analogies to the copper thionein core. (2007) (13)
Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme‐Pressure Polarizable Continuum Model (2018) (13)
Energy and energy derivatives for molecular solutes: Perspectives of application to hybrid quantum and molecular methods (1996) (12)
From Molecular Electrostatic Potentials to Solvation Models and Ending with Biomolecular Photophysical Processes (2010) (12)
Neutral organic lewis acids of π type (1986) (12)
Modelling vibrational coupling in DNA oligomers: a computational strategy combining QM and continuum solvation models (2012) (12)
Quantum Chemistry at the High Pressures: The eXtreme Pressure Polarizable Continuum Model (XP-PCM) (2018) (12)
Non-bonded Radii of the Atoms Under Compression. (2020) (12)
The Cotton–Mouton effect of gaseous N2, CO, CO2, N2O, OCS and CS2: a density functional approach to high-order mixed electric and magnetic properties (2001) (12)
Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: Application to time-dependent CI. (2016) (11)
Electron configuration and electronegativity of the atoms under compression (2019) (11)
New developments in the symmetry‐adapted algorithm of the Polarizable Continuum Model (2004) (11)
Electronic excitation spectra of molecules in solution calculated using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model with perturbative approach. (2014) (11)
Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces. (2006) (11)
Insights on the Realgar Crystal Under Pressure from XP-PCM and Periodic Model Calculations. (2017) (10)
XP-PCM Calculations of High Pressure Structural and Vibrational Properties of P4S3. (2016) (10)
Calculation of nonlinear optical susceptibilities of pure liquids within the Polarizable Continuum Model: the effect of the macroscopic nonlinear polarization at the output frequency (2003) (10)
Computational Modelling of the Solvent Effects on Molecular Properties: An Overview of the Polarizable Continuum Model (PCM) Approach (2003) (9)
An open quantum system theory for polarizable continuum models. (2020) (9)
Ionic Couple-Driven Palladium Leaching by Organic Triiodide Solutions (2017) (9)
Semiclassical Interpretation of Intramolecular Interactions (1991) (8)
Infrared linear dichroism in stretched films: Quantum mechanical approach within the polarizable continuum model (2005) (8)
Molecular-distortion analysis with Cartesian symmetry coordinates (1992) (8)
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)]. (2005) (8)
Relating atomic energy, radius and electronegativity through compression (2021) (8)
Cu(I) dinuclear complexes with tripodal ligands vs monodentate donors: triphenylphosphine, thiourea, and pyridine. A 1H NMR titration study. (2006) (8)
Varying Electronic Configurations in Compressed Atoms: From the Role of the Spatial Extension of Atomic Orbitals to the Change of Electronic Configuration as an Isobaric Transformation (2020) (8)
The virial theorem for the Polarizable Continuum Model. (2014) (7)
A density functional theory study of structural and NMR properties of SNN thiosemicarbazone ligands and their Pd(II) chlorocomplexes (2003) (7)
Low Temperature Absorption Spectrum of LiNiPO4 (1991) (7)
SYMMETRY: A Computer Program for the Analysis of the Distortions of the MX6(Oh) and MXa(Td) Complexes in Crystalline Environments (1994) (7)
Toward a Quantum-Mechanical Description of 2D-IR Spectra of Solvated Systems: The Vibrational Mode Coupling within A Polarizable Continuum Model (2010) (6)
Molecular interactions in a homogeneous electric field: the (HF)2 complex (1993) (6)
The Quantum Chemical Study of Chemical Reactions at Extreme High Pressure by Means of the Extreme-Pressure Polarizable Continuum Model (2017) (6)
Quantum Mechanical Models for Reactions in Solution (2002) (5)
Absolute stereochemistry and preferred conformations of urate degradation intermediates from computed and experimental circular dichroism spectra. (2011) (5)
Excitonic splitting in conjugated molecular materials: A quantum mechanical model including interchain interactions and dielectric effects (2004) (5)
Proton and lithium cation interactions with hydrogen sulfide and hydrogen persulfide (1989) (5)
Second-order Mø øller–Plesset second derivatives for the polarizable continuum model: theoretical bases and application to solvent effects in electrophilic bromination of ethylene (2004) (5)
STRUCTURE AND PROPERTIES OF MOLECULAR SOLUTES IN ELECTRONIC EXCITED STATES: A POLARIZABLE CONTINUUM MODEL APPROACH BASED ON THE TIME-DEPENDENT DENSITY FUNCTIONAL THEORY (2008) (5)
Quantum optimal control theory for solvated systems. (2019) (5)
The calculation of excited-state polarizabilities of solvated molecules (2004) (4)
Analysis of the interaction energy in the Cu+-H2O and Cl−-H2O systems, with CP corrections to the BSSE of the separate terms, and MC simulations of the aqueous systems with and without CP corrections (1992) (4)
Correction: Absolute stereochemistry and preferred conformations of urate degradation intermediates from computed and experimental circular dichroism spectra. (2011) (4)
Quantum Cluster Theory for the Polarizable Continuum Model (PCM) (2015) (4)
Molecules in solution (2003) (4)
The Extramolecular Electrostatic Potential. An Indicator of the Chemical Reactivity (1991) (4)
Properties and Spectroscopies (2007) (3)
Toward an Understanding of the Pressure Effect on the Intramolecular Vibrational Frequencies of Sulfur Hexafluoride (2021) (3)
How the molecular environment controls excitation energy transfer and light harvesting: A quantum mechanical model (2008) (3)
Errata: On the calculation of infrared intensities in solution within the Polarizable ContinuumModel (2002) (3)
Properties of Excited States of Molecules in Solution Described with Continuum Solvation Models (2009) (3)
Recent Advances in the Coupled-Cluster Analytical Derivatives Theory for Molecules in Solution Described With the Polarizable Continuum Model (PCM) (2012) (2)
Correction to "Squeezing All Elements in the Periodic Table: Electron Configuration and Electronegativity of the Atoms under Compression". (2021) (2)
Linear chains of hydrogen molecules under pressure: An extreme-pressure continuum model study. (2019) (2)
Symmetry descent in molecular systems (1986) (2)
High-Pressure-Promoted and Facially Selective Diels-Alder Reactions of Enzymatically Derived cis-1,2-Dihydrocatechols and their Acetonide Derivatives. Enantiodivergent Routes to Homochiral and Polyfunctionalized Bicyclo[2.2.2]octenes. (2020) (1)
The Role of Computational Chemistry in the Experimental Determination of the Dipole Moment of Molecules in Solution (2019) (1)
Non-covalent interactions in bimolecular up to mesoscopic systems (1990) (1)
Conceptual density functional theory under pressure: Part I. XP-PCM method applied to atoms (2022) (1)
High‐Pressure Reaction Profiles and Activation Volumes of 1,3‐Cyclohexadiene Dimerizations Computed by the Extreme Pressure‐Polarizable Continuum Model (XP‐PCM) (2021) (1)
Excitation Energies and Transition Moments from the PCM Linear Response Functions (2013) (0)
The second derivative of the electronic energy with respect to the compression scaling factor in the XP‐PCM model: Theory and applications to compression response functions of atoms (2022) (0)
A short history of the Polarizable Continuum Model methodology for the calculation on linear and nonlinear optical properties of molecules in solution (2006) (0)
Analytical Derivatives Theory for Molecular Solutes (2013) (0)
Inverse design of molecule-metal nanoparticle systems interacting with light for desired photophysical properties. (2022) (0)
On the calculation of infrared intensities within the Polarizable Continuum Model (2000) (0)
From Molecular ElectrostaticPotentials to Solvation Models and Ending with Biomolecular PhotophysicalProcesses, in Quantum Biochemistry (2010) (0)
Studying and exploring potential energy surfaces of compressed molecules: A fresh theory from the extreme pressure polarizable continuum model. (2022) (0)
CCDC 246736: Experimental Crystal Structure Determination (2009) (0)
Review Article Modeling Solvent Effects on Chiroptical Properties (2011) (0)
On the Vibrational Effective Polarizabilities Calculation from Cavity Models (2009) (0)
Influence of the R Group in [Mo2(μ-R)(μ-PCy2)(CO)2Cp2], R=H, CH3, Ph, Bz (2005) (0)
S 1 Supporting information for : Pd ( II ) and Ni ( II ) complexes featuring a “ phosphasalen ” ligand : synthesis and DFT study (2011) (0)
On the analytical evaluation of the pressure for the extreme-pressure polarizable continuum model (XP-PCM), with application to atoms (2021) (0)
The PCM Model (2013) (0)
On Two Recent Developments in the Description of Molecular Properties in Solution by Using the Polarizable Continuum Model (PCM): The Coupled-Cluster Theory and the Molecules at Extreme Pressures (2012) (0)
Analytical Hartree-Fock Calculation of Dynamical Polarizabilities alpha, beta and gamma of Molecules in Solutions, (1996) (0)

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What Schools Are Affiliated With Roberto Cammi?

Roberto Cammi is affiliated with the following schools:

University of Milan
University of Parma
University of Florence
University of Bologna