Jacopo Tomasi

Research.com Recognitions

• 2005 - Fellow of the American Association for the Advancement of Science (AAAS)

Overview

Best Publications

• Quantum mechanical continuum solvation models.

  Jacopo Tomasi;Benedetta Mennucci;Roberto Cammi

  18240
  Citations

• Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

  S. Miertuš;E. Scrocco;J. Tomasi

  10836
  Citations

• A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics

  E. Cancès;B. Mennucci;J. Tomasi

  7565
  Citations

• Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent

  Jacopo Tomasi;Maurizio Persico

  6619
  Citations

• Ab initio study of solvated molecules: A new implementation of the polarizable continuum model

  Maurizio Cossi;Vincenzo Barone;Roberto Cammi;Jacopo Tomasi

  4015
  Citations

• Continuum solvation models: A new approach to the problem of solute’s charge distribution and cavity boundaries

  Benedetta Mennucci;Jacopo Tomasi

  3106
  Citations

• Evaluation of Solvent Effects in Isotropic and Anisotropic Dielectrics and in Ionic Solutions with a Unified Integral Equation Method: Theoretical Bases, Computational Implementation, and Numerical Applications

  B. Mennucci;and E. Cancès;J. Tomasi

  3091
  Citations

• Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes

  S. Miertus̃;J. Tomasi

  3066
  Citations

• The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level

  J. Tomasi;B. Mennucci;E. Cancès

  2927
  Citations

• A new definition of cavities for the computation of solvation free energies by the polarizable continuum model

  Vincenzo Barone;Maurizio Cossi;Jacopo Tomasi

  2762
  Citations

• Geometry optimization of molecular structures in solution by the polarizable continuum model

  Vincenzo Barone;Maurizio Cossi;Jacopo Tomasi

  1967
  Citations

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

  Maurizio Cossi;Vincenzo Barone;Benedetta Mennucci;Jacopo Tomasi

  1868
  Citations

• Electronic Molecular Structure, Reactivity and Intermolecular Forces: An Euristic Interpretation by Means of Electrostatic Molecular Potentials

  Eolo Scrocco;Jacopo Tomasi

  1765
  Citations

• 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

  Roberto Cammi;Jacopo Tomasi

  1621
  Citations

• 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.

  Giovanni Scalmani;Michael J. Frisch;Benedetta Mennucci;Jacopo Tomasi

  1476
  Citations

• Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules

  B. Mennucci;J. Tomasi;R. Cammi;J. R. Cheeseman

  826
  Citations

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

  Roberto Cammi;Benedetta Mennucci;Jacopo Tomasi

  742
  Citations

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

  Marco Caricato;Benedetta Mennucci;Jacopo Tomasi;Francesca Ingrosso

  622
  Citations

• 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

  Benedetta Mennucci;Roberto Cammi;Jacopo Tomasi

  572
  Citations

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

  Claudio Amovilli;Vincenzo Barone;Roberto Cammi;Eric Cancès

  538
  Citations

• Molecular SCF Calculations for the Ground State of Some Three‐Membered Ring Molecules: (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, and N2CH2

  Rosanna Bonaccorsi;Eolo Scrocco;Jacopo Tomasi

  534
  Citations