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Cristina Puzzarini

Cristina Puzzarini

D-Index & Metrics

Chemistry

D-Index
57
Citations
11922
World Ranking
11059
National Ranking
351

Overview

Cristina Puzzarini is affiliated with the University of Bologna in Italy. Their research primarily spans the fields of Physics and Astronomy as well as Chemistry. Within these fields, their work focuses heavily on several subfields, including Spectroscopy, Atomic and Molecular Physics and Optics, Astronomy and Astrophysics, Atmospheric Science, and Physical and Theoretical Chemistry.

The scientist's main topics of work include Molecular Spectroscopy and Structure, Advanced Chemical Physics Studies, Atmospheric Ozone and Climate, Astrophysics and Star Formation Studies, Spectroscopy and Laser Applications, Atmospheric Chemistry and Aerosols, and Astro and Planetary Science.

The research output includes numerous publications across frequent venues such as The Journal of Physical Chemistry A, Physical Chemistry Chemical Physics, Frontiers in Astronomy and Space Sciences, Proceedings of the 2021 International Symposium on Molecular Spectroscopy, and Molecules.

Recent papers authored or co-authored by Cristina Puzzarini cover various aspects of molecular spectroscopy and astrochemistry and include the following:

  • Computational molecular spectroscopy, 2021, Nature Reviews Methods Primers
  • Connections between the accuracy of rotational constants and equilibrium molecular structures, 2022, Physical Chemistry Chemical Physics
  • The challenging playground of astrochemistry: an integrated rotational spectroscopy - quantum chemistry strategy, 2020, Physical Chemistry Chemical Physics
  • Precursors of fatty alcohols in the ISM: Discovery of n-propanol, 2022, Astronomy and Astrophysics
  • JunChS and junChS-F12 Models: Parameter-free Efficient yet Accurate Composite Schemes for Energies and Structures of Noncovalent Complexes, 2021, Archivio istituzionale della ricerca (Alma Mater Studiorum Università di Bologna)

The frequent co-authors who have collaborated with Cristina Puzzarini include Mattia Melosso, Vincenzo Barone, Silvia Alessandrini, L. Bizzocchi, and Luca Dore.

Best Publications

  • Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements

    Kirk A Peterson;Cristina Puzzarini;Cristina Puzzarini

  • Quantum-chemical calculation of spectroscopic parameters for rotational spectroscopy

    Cristina Puzzarini;John F. Stanton;Jürgen Gauss

  • Theoretical models on the Cu2O2 torture track: mechanistic implications for oxytyrosinase and small-molecule analogues.

    Christopher J. Cramer;Marta Włoch;Piotr Piecuch;Cristina Puzzarini

  • Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy.

    Cristina Puzzarini;Julien Bloino;Nicola Tasinato;Vincenzo Barone

  • Semi-experimental equilibrium structure determinations by employing B3LYP/SNSD anharmonic force fields: validation and application to semirigid organic molecules.

    Unknown

  • Computational molecular spectroscopy

    Vincenzo Barone;Silvia Alessandrini;Malgorzata Biczysko;James R. Cheeseman

  • The accuracy of rotational constants predicted by high-level quantum-chemical calculations. I. molecules containing first-row atoms

    Cristina Puzzarini;Miriam Heckert;Jürgen Gauss

  • Accurate structure, thermodynamic and spectroscopic parameters from CC and CC/DFT schemes: the challenge of the conformational equilibrium in glycine

    Vincenzo Barone;Malgorzata Biczysko;Julien Bloino;Cristina Puzzarini

  • Extending the molecular size in accurate quantum-chemical calculations: the equilibrium structure and spectroscopic properties of uracil

    Cristina Puzzarini;Vincenzo Barone

  • The Genealogical Tree of Ethanol: Gas-phase Formation of Glycolaldehyde, Acetic Acid, and Formic Acid

    Dimitrios Skouteris;Nadia Balucani;Nadia Balucani;Nadia Balucani;Cecilia Ceccarelli;Fanny Vazart

  • Seeds of Life in Space (SOLIS) II. Formamide in protostellar shocks: Evidence for gas-phase formation

    C. Codella;C. Ceccarelli;C. Ceccarelli;P. Caselli;N. Balucani;N. Balucani

  • Accurate Harmonic/Anharmonic Vibrational Frequencies for Open-Shell Systems: Performances of the B3LYP/N07D Model for Semirigid Free Radicals Benchmarked by CCSD(T) Computations.

    Cristina Puzzarini;Malgorzata Biczysko;Vincenzo Barone

  • Accurate Anharmonic Vibrational Frequencies for Uracil: The Performance of Composite Schemes and Hybrid CC/DFT Model

    Cristina Puzzarini;Malgorzata Biczysko;Vincenzo Barone

  • New quantum chemical computations of formamide deuteration support a gas-phase formation of this prebiotic molecule

    D. Skouteris;F. Vazart;C. Ceccarelli;C. Ceccarelli;N. Balucani;N. Balucani

  • Correction to Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules.

    Matteo Piccardo;Emanuele Penocchio;Cristina Puzzarini;Malgorzata Biczysko

  • Seeds of Life in Space (SOLIS) III. Formamide in protostellar shocks: evidence for gas-phase formation

    C. Codella;C. Ceccarelli;P. Caselli;N. Balucani

  • Extrapolation to the complete basis set limit of structural parameters: comparison of different approaches.

    Cristina Puzzarini

  • Diving for Accurate Structures in the Ocean of Molecular Systems with the Help of Spectroscopy and Quantum Chemistry.

    Cristina Puzzarini;Vincenzo Barone

  • Connections between the accuracy of rotational constants and equilibrium molecular structures.

    Unknown

  • Extension of the "Cheap" Composite Approach to Noncovalent Interactions: The jun-ChS Scheme.

    Silvia Alessandrini;Vincenzo Barone;Cristina Puzzarini

  • Ab initio dynamics of the He + H+ 2 → HeH+ +H reaction: a new potential energy surface and quantum mechanical cross-sections

    P. Palmieri;C. Puzzarini;V. Aquilanti;G. Capecchi

  • Quantum Chemistry Meets Spectroscopy for Astrochemistry: Increasing Complexity toward Prebiotic Molecules

    Vincenzo Barone;Malgorzata Biczysko;Cristina Puzzarini

  • A new experimental absolute nuclear magnetic shielding scale for oxygen based on the rotational hyperfine structure of H(2)(17)O.

    Cristina Puzzarini;Gabriele Cazzoli;Michael E. Harding;Juana Vázquez

Frequent Co-Authors

Vincenzo Barone
Vincenzo Barone Scuola Normale Superiore di Pisa
Jürgen Gauss
Jürgen Gauss Johannes Gutenberg University of Mainz
Nadia Balucani
Nadia Balucani University of Perugia
José L. Alonso
José L. Alonso University of Valladolid
Cecilia Ceccarelli
Cecilia Ceccarelli Grenoble Alpes University
Rafael Bachiller
Rafael Bachiller Observatorio Astronómico Nacional de España
Sonia Coriani
Sonia Coriani Technical University of Denmark
Bertrand Lefloch
Bertrand Lefloch Grenoble Alpes University
Emmanuel Caux
Emmanuel Caux Federal University of Toulouse Midi-Pyrénées
Paola Caselli
Paola Caselli Max Planck Society

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