S. Alessandrini

发表

The challenge of non-covalent interactions: theory meets experiment for reconciling accuracy and interpretation

V. Barone, C. Puzzarini, L. Spada, 2020, Journal of physics. Condensed matter : an Institute of Physics journal.

Intersystem crossing in the entrance channel of the reaction of O(3P) with pyridine.

V. Barone, C. Cavallotti, N. Balucani, 2022, Nature chemistry.

Gas-phase identification of (Z)-1,2-ethenediol, a key prebiotic intermediate in the formose reaction.

V. Barone, L. Bizzocchi, C. Puzzarini, 2022, Chemical communications.

Rotational Spectra of Unsaturated Carbon Chains Produced by Pyrolysis: The Case of Propadienone, Cyanovinylacetylene, and Allenylacetylene

L. Bizzocchi, C. Puzzarini, S. Alessandrini, 2022, The journal of physical chemistry. A.

Dipolar spin-spin coupling as an auxiliary tool for the structure determination of small isolated molecules.

L. Bizzocchi, C. Puzzarini, S. Alessandrini, 2022, Physical chemistry chemical physics : PCCP.

Spectroscopic and Computational Characterization of 2-Aza-1,3-butadiene, a Molecule of Astrochemical Significance

L. Bizzocchi, C. Puzzarini, S. Alessandrini, 2022, The journal of physical chemistry. A.

Computational molecular spectroscopy

Frank Neese, Vincenzo Barone, David C. Clary, 2021, Nature Reviews Methods Primers.

Structural and Energetic Characterization of Prebiotic Molecules: The Case Study of Formamide and Its Dimer.

C. Puzzarini, S. Alessandrini, 2016, The journal of physical chemistry. A.

Accuracy of Rotational Parameters Predicted by High-Level Quantum-Chemical Calculations: Case Study of Sulfur-Containing Molecules of Astrochemical Interest.

J. Gauss, C. Puzzarini, S. Alessandrini, 2018, Journal of chemical theory and computation.

Synchrotron-based far-infrared spectroscopy of HC3N: extended ro-vibrational analysis and new line list up to 3360 cm−1.

P. Caselli, I. Gordon, L. Bizzocchi, 2021, Journal of Quantitative Spectroscopy and Radiative Transfer.

Protonation of apolar species: From Cl2H+ to (E)-NCCHCHCNH+ through computational investigations

L. Bizzocchi, C. Puzzarini, S. Alessandrini, 2023, Frontiers in Astronomy and Space Sciences.

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

L. Bizzocchi, C. Puzzarini, S. Alessandrini, 2023, Molecules.

Insights into the molecular structure and infrared spectrum of the prebiotic species aminoacetonitrile.

L. Bizzocchi, O. Pirali, C. Puzzarini, 2023, Physical chemistry chemical physics : PCCP.

Ab Initio Study of Fine and Hyperfine Interactions in Triplet POH

L. Bizzocchi, C. Puzzarini, S. Alessandrini, 2022, Molecules.

junChS and junChS-F12 Models: Parameter-free Efficient yet Accurate Composite Schemes for Energies and Structures of Noncovalent Complexes.

V. Barone, C. Puzzarini, S. Alessandrini, 2021, Journal of chemical theory and computation.

Fate of the Gas-Phase Reaction Between Oxirane and the CN Radical in Interstellar Conditions

S. Alessandrini, M. Melosso, 2021, Frontiers in Astronomy and Space Sciences.

Conformational stability of cyclopropanecarboxaldehyde is ruled by vibrational effects

L. Bizzocchi, C. Puzzarini, S. Alessandrini, 2021, Molecular Physics.

A computational journey in the CH2O2S land: an accurate rotational and ro-vibrational analysis of the sulfene molecule and the O,S- and O,O-monothiocarbonic acids

V. Barone, C. Puzzarini, L. Spada, 2020, Molecular Physics.

The unexplored world of cycloalkene-water complexes: primary and assisting interactions unraveled by experimental and computational spectroscopy.

V. Barone, Shuang Gao, G. Feng, 2019, Angewandte Chemie.

The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy

V. Barone, Shuang Gao, G. Feng, 2019, Angewandte Chemie.

Unveiling the Sulfur-Sulfur Bridge: Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond

J. Gauss, V. Barone, D. Obenchain, 2018, Angewandte Chemie.

Unveiling the Sulfur-Sulfur Bridge: Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond.

J. Gauss, V. Barone, D. Obenchain, 2018, Angewandte Chemie.

The MRPC detector for the ALICE Time Of Flight System: Final Design and Performances

R. Michinelli, M. Basile, L. Cifarelli, 2006 .

Extension of the "cheap" composite approach to non-covalent interactions: the jun-ChS scheme.

Cristina Puzzarini, Vincenzo Barone, Silvia Alessandrini, 2019, Journal of chemical theory and computation.

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

V. Barone, Juncheng Lei, Q. Gou, 2020, Molecules.

In search of phosphorus in astronomical environments: The reaction between the CP radical (X2Σ+) and methanimine.

C. Puzzarini, S. Alessandrini, F. Tonolo, 2021, The Journal of chemical physics.

From the laboratory to the interstellar medium: a strategy to search for exotic molecules in space

L. Bizzocchi, C. Puzzarini, S. Alessandrini, 2023, Frontiers in Astronomy and Space Sciences.

Precursors of the RNA World in Space: Detection of (Z)-1,2-ethenediol in the Interstellar Medium, a Key Intermediate in Sugar Formation

V. Barone, L. Bizzocchi, C. Puzzarini, 2022, The Astrophysical Journal Letters.

junChS and junChS-F12 Models: Parameter-free Efficient yet Accurate Composite Schemes for Energies and Structures of Noncovalent Complexes.

V. Barone, C. Puzzarini, S. Alessandrini, 2021, Journal of chemical theory and computation.

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

S. Alessandrini, Hexu Ye, Cristina Puzzarini, 2024, The Astrophysical Journal.

Carbamic acid and its dimer: A computational study.

S. Alessandrini, Cristina Puzzarini, 2024, Journal of computational chemistry.