Publications by authors named "Alberto Baggioli"

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Crossed molecular beam experiments and theoretical simulations on the multichannel reaction of toluene with atomic oxygen.
Nadia Balucani, Gianmarco Vanuzzo, Pedro Recio, Adriana Caracciolo, Marzio Rosi, Alberto Baggioli

Faraday Discuss· August 2024

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Intersystem crossing in the entrance channel of the reaction of O(P) with pyridine.
Pedro Recio, Silvia Alessandrini, Gianmarco Vanuzzo, Giacomo Pannacci, Alberto Baggioli

Nat Chem· December 2022

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Crossed-Beam and Theoretical Studies of the O(P, D) + Benzene Reactions: Primary Products, Branching Fractions, and Role of Intersystem Crossing.
Gianmarco Vanuzzo, Adriana Caracciolo, Timothy K Minton, Nadia Balucani, Piergiorgio Casavecchia, Alberto Baggioli

J Phys Chem A· September 2021

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Chalcogen Bonds in Selenocysteine Seleninic Acid, a Functional GPx Constituent, and in Other Seleninic or Sulfinic Acid Derivatives.
Abhishek Tripathi, Andrea Daolio, Andrea Pizzi, Zhifang Guo, David R Turner, Alberto Baggioli

Chem Asian J· August 2021

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Structural properties of the chelating agent 2,6-bis(1-(3-hydroxypropyl)-1,2,3-triazol-4-yl)pyridine: a combined XRD and DFT structural study.
Greta Colombo Dugoni, Alberto Baggioli, Antonino Famulari, Alessandro Sacchetti, Javier Martí-Rujas

RSC Adv· May 2020

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Noncovalent Interactions Descriptor Based on the Source Function of Individual Localized Molecular Orbitals in Whole Space.
Alberto Baggioli

J Phys Chem A· April 2018

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Thermodynamics of aqueous perfluorooctanoic acid (PFOA) and 4,8-dioxa-3H-perfluorononanoic acid (DONA) from DFT calculations: Insights into degradation initiation.
Alberto Baggioli, Maurizio Sansotera, Walter Navarrini

Chemosphere· February 2018

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Nucleophilicity and electrophilicity of the C(sp)-H bond: methane and ethane binary complexes with iodine.
Alberto Baggioli, Stefano V Meille, Antonino Famulari

Phys Chem Chem Phys· September 2017

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Exploring short intramolecular interactions in alkylaromatic substrates.
Alberto Baggioli, Carlo A Cavallotti, Antonino Famulari

Phys Chem Chem Phys· October 2016

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On the inter-ring torsion potential of regioregular P3HT: a first principles reexamination with explicit side chains.
Alberto Baggioli, Antonino Famulari

Phys Chem Chem Phys· March 2014

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Computational 17O-NMR spectroscopy of organic acids and peracids: comparison of solvation models.
Alberto Baggioli, Orlando Crescenzi, Martin J Field, Franca Castiglione, Guido Raos

Phys Chem Chem Phys· January 2013

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A solid state density functional study of crystalline thiophene-based oligomers and polymers.
Antonino Famulari, Guido Raos, Alberto Baggioli, Mosè Casalegno, Riccardo Po

J Phys Chem B· December 2012

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Organic peracids: a structural puzzle for 17O NMR and ab initio chemical shift calculations.
Franca Castiglione, Alberto Baggioli, Attilio Citterio, Andrea Mele, Guido Raos

J Phys Chem A· February 2012

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