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Gas-phase Chemistry in the Interstellar Medium: The Role of Laboratory Astrochemistry

Frontiers in astronomy and space sciences, 2022-02, Vol.8

Puzzarini, Cristina

2022

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Grand Challenges in Astrochemistry

Frontiers in astronomy and space sciences, 2020-05, Vol.7

Puzzarini, Cristina

2020

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

The Astrophysical journal, 2018-02, Vol.854 (2), p.135

2018

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On the General Mechanism for the Gas-phase Reaction of Methanimine with a Radical Species in the Interstellar Medium: Some Failures and an Important Success

The Astrophysical journal, 2024-02, Vol.962 (1), p.32

2024

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

Physical chemistry chemical physics : PCCP, 2013-07, Vol.15 (25), p.10094-10111

2013

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Toward Accurate yet Effective Computations of Rotational Spectroscopy Parameters for Biomolecule Building Blocks

Molecules (Basel, Switzerland), 2023-01, Vol.28 (2), p.913

2023

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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

Theoretical chemistry accounts, 2005-10, Vol.114 (4-5), p.283-296

2005

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State-of-the-Art Thermochemical and Kinetic Computations for Astrochemical Complex Organic Molecules: Formamide Formation in Cold Interstellar Clouds as a Case Study

Journal of chemical theory and computation, 2016-11, Vol.12 (11), p.5385-5397

2016

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Hyperfine-resolved spectra of HDS together with a global ro-vibrational analysis

The Journal of chemical physics, 2023-05, Vol.158 (17)

2023

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The Role of State-of-the-Art Quantum-Chemical Calculations in Astrochemistry: Formation Route and Spectroscopy of Ethanimine as a Paradigmatic Case

Molecules (Basel, Switzerland), 2020-06, Vol.25 (12), p.2873

2020

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

Journal of chemical theory and computation, 2011-11, Vol.7 (11), p.3702-3710

2011

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Interstellar Ices: A Factory of the Origin-of-Life Molecules

ACS central science, 2024-01, Vol.10 (1), p.13-15

2024

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Characterization of the Elusive Conformers of Glycine from State-of-the-Art Structural, Thermodynamic, and Spectroscopic Computations: Theory Complements Experiment

Journal of chemical theory and computation, 2013-03, Vol.9 (3), p.1533-1547

2013

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CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study

Journal of chemical theory and computation, 2015-09, Vol.11 (9), p.4342-4363

2015

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Unbiased disentanglement of conformational baths with the help of microwave spectroscopy, quantum chemistry, and artificial intelligence: The puzzling case of homocysteine

The Journal of chemical physics, 2022-08, Vol.157 (7), p.074107-074107

2022

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Computational Protocol for the Identification of Candidates for Radioastronomical Detection and Its Application to the C3H3NO Family of Isomers

Molecules (Basel, Switzerland), 2023-04, Vol.28 (7), p.3226

2023

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Toward Accurate Formation Routes of Complex Organic Molecules in the Interstellar Medium: The Paradigmatic Cases of Acrylonitrile and Cyanomethanimine

Frontiers in astronomy and space sciences, 2022-01, Vol.8

2022

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Relevance of the P+O2 Reaction for PO Formation in Astrochemical Environments: Electronic Structure Calculations and Kinetic Simulations

The Astrophysical journal, 2024-03, Vol.963 (2), p.142

2024

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Unbiased Determination of Absolute Configurations by vis-à-vis Comparison of Experimental and Simulated Spectra: The Challenging Case of Diplopyrone

The journal of physical chemistry. B, 2019-10, Vol.123 (43), p.9230-9237

2019

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Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane

The Journal of chemical physics, 2014-07, Vol.141 (3), p.034107-034107

2014

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Ab Initio Study of Fine and Hyperfine Interactions in Triplet POH

Molecules (Basel, Switzerland), 2022-01, Vol.27 (1), p.302

2022

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Editorial: Women in science: astronomy and space sciences

Frontiers in astronomy and space sciences, 2024, Vol.11

2024

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Accurate molecular structures of small- and medium-sized molecules

International journal of quantum chemistry, 2016-11, Vol.116 (21), p.1513-1519

Puzzarini, Cristina

2016

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

Accounts of chemical research, 2018-02, Vol.51 (2), p.548-556

2018

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Rotational Spectroscopy Meets Quantum Chemistry for Analyzing Substituent Effects on Non-Covalent Interactions: The Case of the Trifluoroacetophenone-Water Complex

Molecules (Basel, Switzerland), 2020-10, Vol.25 (21), p.4899

2020

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Gas-phase Chemistry in the Interstellar Medium: The Role of Laboratory Astrochemistry

Grand Challenges in Astrochemistry

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

On the General Mechanism for the Gas-phase Reaction of Methanimine with a Radical Species in the Interstellar Medium: Some Failures and an Important Success

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

Toward Accurate yet Effective Computations of Rotational Spectroscopy Parameters for Biomolecule Building Blocks

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

State-of-the-Art Thermochemical and Kinetic Computations for Astrochemical Complex Organic Molecules: Formamide Formation in Cold Interstellar Clouds as a Case Study

Hyperfine-resolved spectra of HDS together with a global ro-vibrational analysis

The Role of State-of-the-Art Quantum-Chemical Calculations in Astrochemistry: Formation Route and Spectroscopy of Ethanimine as a Paradigmatic Case

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

Interstellar Ices: A Factory of the Origin-of-Life Molecules

Characterization of the Elusive Conformers of Glycine from State-of-the-Art Structural, Thermodynamic, and Spectroscopic Computations: Theory Complements Experiment

CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study

Unbiased disentanglement of conformational baths with the help of microwave spectroscopy, quantum chemistry, and artificial intelligence: The puzzling case of homocysteine

Computational Protocol for the Identification of Candidates for Radioastronomical Detection and Its Application to the C3H3NO Family of Isomers

Toward Accurate Formation Routes of Complex Organic Molecules in the Interstellar Medium: The Paradigmatic Cases of Acrylonitrile and Cyanomethanimine

Relevance of the P+O2 Reaction for PO Formation in Astrochemical Environments: Electronic Structure Calculations and Kinetic Simulations

Unbiased Determination of Absolute Configurations by vis-à-vis Comparison of Experimental and Simulated Spectra: The Challenging Case of Diplopyrone

Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane

Ab Initio Study of Fine and Hyperfine Interactions in Triplet POH

Editorial: Women in science: astronomy and space sciences

Accurate molecular structures of small- and medium-sized molecules

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

Rotational Spectroscopy Meets Quantum Chemistry for Analyzing Substituent Effects on Non-Covalent Interactions: The Case of the Trifluoroacetophenone-Water Complex

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