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Giovanni Scalmani

Giovanni Scalmani

D-Index & Metrics

Chemistry

D-Index
51
Citations
25516
World Ranking
13757
National Ranking
3567

Overview

Giovanni Scalmani is affiliated with Gaussian Inc. in the United States and has published extensively in the fields of Chemistry and Physics and Astronomy. Their research predominantly spans Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry, and Organic Chemistry, with additional work in Electrical and Electronic Engineering and Spectroscopy.

The scientific topics explored by Scalmani include Spectroscopy and Quantum Chemical Studies, Advanced Chemical Physics Studies, Photochemistry and Electron Transfer Studies, Free Radicals and Antioxidants, Molecular Junctions and Nanostructures, Molecular Spectroscopy and Chirality, and Organic Chemistry Cycloaddition Reactions.

Scalmani's publication record shows frequent contributions to the following venues:

  • Journal of Chemical Theory and Computation
  • Journal of Computational Chemistry
  • The Journal of Physical Chemistry Letters
  • Physical Chemistry Chemical Physics
  • Journal of the American Chemical Society

Their recent papers demonstrate a focus on density functional theory and excited-state calculations, including:

  • Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states, 2020, Journal of Computational Chemistry
  • Simple Protocol for Capturing Both Linear-Response and State-Specific Effects in Excited-State Calculations with Continuum Solvation Models, 2021, Journal of Chemical Theory and Computation
  • Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals, 2021, Journal of Computational Chemistry
  • Exact-Two-Component Multiconfiguration Pair-Density Functional Theory, 2022, Journal of Chemical Theory and Computation
  • Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry?, 2024, Journal of the American Chemical Society

Their research collaborations include frequent coauthorships with Michael J. Frisch, Carlo Adamo, Benjamin G. Janesko, Donald G. Truhlar, and Alistar Ottochian.

Best Publications

  • Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model.

    Maurizio Cossi;Nadia Rega;Giovanni Scalmani;Vincenzo Barone

  • Continuous surface charge polarizable continuum models of solvation. I. General formalism

    Giovanni Scalmani;Michael J. Frisch

  • New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution

    Maurizio Cossi;Giovanni Scalmani;Nadia Rega;Vincenzo Barone

  • 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

  • A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution.

    Roberto Improta;Vincenzo Barone;Giovanni Scalmani;Michael J. Frisch

  • A Density Functional with Spherical Atom Dispersion Terms

    Amy Austin;George A. Petersson;Michael J. Frisch;Frank J. Dobek

  • 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

  • Can short-range hybrids describe long-range-dependent properties?

    Thomas M. Henderson;Artur F. Izmaylov;Giovanni Scalmani;Gustavo E. Scuseria

  • Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach

    Roberto Improta;Giovanni Scalmani;Michael J. Frisch;Vincenzo Barone

  • Singlet Excited-State Behavior of Uracil and Thymine in Aqueous Solution: A Combined Experimental and Computational Study of 11 Uracil Derivatives

    Thomas Gustavsson;Akos Bányász;Elodie Lazzarotto;Dimitra Markovitsi

  • Polarizable dielectric model of solvation with inclusion of charge penetration effects

    Maurizio Cossi;Nadia Rega;Giovanni Scalmani;Vincenzo Barone

  • Assessment of the efficiency of long-range corrected functionals for some properties of large compounds.

    Denis Jacquemin;Eric A. Perpète;Giovanni Scalmani;Michael J. Frisch

  • Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies

    Malgorzata Biczysko;Pawel Panek;Giovanni Scalmani;Julien Bloino

  • Practical computation of electronic excitation in solution: vertical excitation model

    Aleksandr V. Marenich;Christopher J. Cramer;Donald G. Truhlar;Ciro A. Guido

  • A TD-DFT investigation of ground and excited state properties in indoline dyes used for dye-sensitized solar cells.

    Tangui Le Bahers;Thierry Pauporté;Giovanni Scalmani;Carlo Adamo

  • First hyperpolarizability of polymethineimine with long-range corrected functionals

    Denis Jacquemin;Eric A. Perpète;Miroslav Medved;Giovanni Scalmani

  • A variational formulation of the polarizable continuum model

    Filippo Lipparini;Giovanni Scalmani;Benedetta Mennucci;Eric Cancès

  • Time-Dependent Density Functional Tight Binding: New Formulation and Benchmark of Excited States.

    Fabio Trani;Giovanni Scalmani;Guishan Zheng;Ivan Carnimeo

  • Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins

    Denis Jacquemin;Eric A. Perpète;Giovanni Scalmani;Michael J. Frisch

  • Achieving linear-scaling computational cost for the polarizable continuum model of solvation

    Giovanni Scalmani;Vincenzo Barone;Konstantin N. Kudin;Christian S. Pomelli

Frequent Co-Authors

Michael J. Frisch
Michael J. Frisch Gaussian Inc.
Vincenzo Barone
Vincenzo Barone Scuola Normale Superiore di Pisa
Carlo Adamo
Carlo Adamo Institut Universitaire de France
Benedetta Mennucci
Benedetta Mennucci University of Pisa
Denis Jacquemin
Denis Jacquemin University of Nantes
Ilaria Ciofini
Ilaria Ciofini Chimie ParisTech
Yvon Maday
Yvon Maday Sorbonne University
Eric A. Perpète
Eric A. Perpète University of Namur
Jean-Philip Piquemal
Jean-Philip Piquemal Sorbonne University
Roberto Improta
Roberto Improta University of Naples Federico II

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