BAGGIOLI, ALBERTO
BAGGIOLI, ALBERTO
DIPARTIMENTO DI CHIMICA, MATERIALI E INGEGNERIA CHIMICA "GIULIO NATTA"
4,4′-Dipyridyl Dioxide·SbF3 Cocrystal: Pnictogen Bond Prevails over Halogen and Hydrogen Bonds in Driving Self-Assembly
2020-01-01 Scilabra, P.; Terraneo, G.; Daolio, A.; Baggioli, A.; Famulari, A.; Leroy, C.; Bryce, D. L.; Resnati, G.
A Solid State Density Functional Study of Crystalline Thiophene-Based Oligomers and Polymers
2012-01-01 Famulari, Antonino; Raos, Guido; Baggioli, Alberto; Casalegno, Mose'; Riccardo, Po; Meille, STEFANO VALDO
Absorption and photocatalytic degradation of VOCs by perfluorinated ionomeric coating with TiO2 nanopowders for air purification
2019-01-01 Sansotera, Maurizio; GERAN MALEK KHEYLI, Sina; Baggioli, Alberto; Bianchi, Claudia L.; Pedeferri, Maria Pia; Diamanti, Maria Vittoria; Navarrini, Walter
Atomistic Simulation of Phase Transitions and Charge Mobility for the Organic Semiconductor Ph-BTBT-C10
2019-01-01 Baggioli, A.; Casalegno, M.; Raos, G.; Muccioli, L.; Orlandi, S.; Zannoni, C.
Catalytic microreactor with electrodeposited hierarchically nanostructured nickel coatings for gas-phase fluorination reactions
2018-01-01 Sansotera, Maurizio; Baggioli, Alberto; Ieffa, Simona; Tedesco, Mariella; Sacchi, Benedetta; Bianchi, Claudia L.; Navarrini, Michele; Migliori, Massimo; Magagnin, Luca; Navarrini, Walter
Chalcogen Bonds in Selenocysteine Seleninic Acid, a Functional GPx Constituent, and in Other Seleninic or Sulfinic Acid Derivatives
2021-01-01 Tripathi, A.; Daolio, A.; Pizzi, A.; Guo, Z.; Turner, D. R.; Baggioli, A.; Famulari, A.; Deacon, G. B.; Resnati, G.; Singh, H. B.
Computational 17O-NMR spectroscopy of organic acids and peracids: comparison of solvation models
2013-01-01 Baggioli, Alberto; O., Crescenzi; M. J., Field; Castiglione, Franca; Raos, Guido
Crossed-Beam and Theoretical Studies of the O(3P,1D) + Benzene Reactions: Primary Products, Branching Fractions, and Role of Intersystem Crossing
2021-01-01 Vanuzzo, G.; Caracciolo, A.; Minton, T. K.; Balucani, N.; Casavecchia, P.; de Falco, C.; Baggioli, A.; Cavallotti, C.
Exploring short intramolecular interactions in alkylaromatic substrates
2016-01-01 Baggioli, Alberto; Cavallotti, CARLO ALESSANDRO; Famulari, Antonino
Free-radical selective functionalization of 1,4-naphthoquinones by perfluorodiacyl peroxides
2014-01-01 Sansotera, Maurizio; Gambarotti, Cristian; Famulari, Antonino; Baggioli, Alberto; R., Soave; Venturini, Francesco; Meille, STEFANO VALDO; I., Wlassics; Navarrini, WALTER MAURIZIO
Intersystem crossing in the entrance channel of the reaction of O(3P) with pyridine
2022-01-01 Recio, Pedro; Alessandrini, Silvia; Vanuzzo, Gianmarco; Pannacci, Giacomo; Baggioli, Alberto; Marchione, Demian; Caracciolo, Adriana; Murray, Vanessa J; Casavecchia, Piergiorgio; Balucani, Nadia; Cavallotti, Carlo; Puzzarini, Cristina; Barone, Vincenzo
Intramolecular CH/π interactions in alkylaromatics: Monomer conformations for poly(3-alkylthiophene) atomistic models
2013-01-01 Baggioli, Alberto; Meille, STEFANO VALDO; Raos, Guido; Riccardo, Po; Martin, Brinkmann; Famulari, Antonino
Materials for organic photovoltaics: insights from detailed structural models and molecular simulations
2012-01-01 Casalegno, Mose'; Baggioli, Alberto; Famulari, Antonino; Meille, STEFANO VALDO; Nicolini, Tommaso; R., Po; Raos, Guido
Nucleophilicity and electrophilicity of the C(sp(3))-H bond: methane and ethane binary complexes with iodine
2017-01-01 Baggioli, Alberto; Meille, STEFANO VALDO; Famulari, Antonino
On the inter-ring torsion potential of regioregular P3HT: a first principles reexamination with explicit side chains
2014-01-01 Baggioli, Alberto; Famulari, Antonino
On the radical behavior of large polycyclic aromatic hydrocarbons in soot formation and oxidation
2022-01-01 Nobili, A.; Pratali Maffei, L.; Baggioli, A.; Pelucchi, M.; Cuoci, A.; Cavallotti, C.; Faravelli, T.
Organic Peracids: A Structural Puzzle for 17O NMR and Ab InitioChemical Shift Calculations
2012-01-01 Castiglione, Franca; Baggioli, Alberto; Citterio, Attilio; Mele, Andrea; Raos, Guido
Polymer-Mediated Adhesion: Nanoscale Surface Morphology and Failure Mechanisms
2021-01-01 Baggioli, Alberto; Casalegno, Mosè; David, Alessio; Pasquini, Marta; Raos, Guido
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
2020-01-01 Colombo Dugoni, Greta; Baggioli, Alberto; Famulari, Antonino; Sacchetti, Alessandro; Martí-Rujas, Javier; Mariani, Mario; Macerata, Elena; Mossini, Eros; Mele, Andrea
Thermodynamics of aqueous perfluorooctanoic acid (PFOA) and 4,8-dioxa-3H-perfluorononanoic acid (DONA) from DFT calculations: Insights into degradation initiation
2018-01-01 Baggioli, Alberto; Sansotera, Maurizio; Navarrini, Walter