Sfoglia per Autore
Theory Meets Experiment for Noncovalent Complexes: The Puzzling Case of Pnicogen Interactions
2018 Li, Weixing; Spada, Lorenzo; Tasinato, Nicola; Rampino, Sergio; Evangelisti, Luca; Gualandi, Andrea; Cozzi, Pier Giorgio; Melandri, Sonia; Barone, Vincenzo; Puzzarini, Cristina
Charge-Displacement Analysis via Natural Orbitals for Chemical Valence in the Four-Component Relativistic Framework
2018 De Santis, Matteo; Rampino, Sergio; Quiney, Harry M; Belpassi, Leonardo; Storchi, Loriano
Exploiting coordination geometry to selectively predict the r-donor and p-acceptor abilities of ligands: A back-and-forth journey between electronic properties and spectroscopy
2018 Fuse', M.; Rimoldi, I.; Facchetti, G.; Rampino, S.; Barone, V.
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality
2018 Salvadori, Andrea; Fusè, Marco; Mancini, Giordano; Rampino, Sergio; Barone, Vincenzo
Virtual reality tools for advanced modeling
2019 Lupi, Jacopo; Martino, Marta; Salvadori, A.; Rampino, S.; Mancini, G.; Barone, V.
The Chemical Bond and s-d Hybridization in Coinage Metal(I) Cyanides
2019 De Santis, M.; Rampino, S.; Storchi, L.; Belpassi, L.; Tarantelli, Francesco
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations
2019 Nandi, Surajit; Calderini, D.; Bloino, J.; Rampino, S.; Barone, V.
Ferrocenes with simple chiral substituents: An in-depth theoretical and experimental VCD and ECD study
2019 Patti, A.; Pedotti, S.; Mazzeo, G.; Longhi, G.; Abbate, Sergio; Paoloni, L.; Bloino, J.; Rampino, S.; Barone, V.
Potential-Energy Surfaces for Ring-Puckering Motions of Flexible Cyclic Molecules through Cremer-Pople Coordinates: Computation, Analysis, and Fitting
2019 Paoloni, Lorenzo; Rampino, Sergio; Barone, Vincenzo
Machine Learning of Potential-Energy Surfaces Within a Bond-Order Sampling Scheme
2019 Licari, D.; Rampino, S.; Barone, V.
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality
2020 Martino, M.; Salvadori, A.; Lazzari, F.; Paoloni, L.; Nandi, S.; Mancini, G.; Barone, V.; Rampino, S.
Erratum: The Italian national project of astrobiology-life in space-origin, presence, persistence of life in space, from molecules to extremophiles (Astrobiology (2020) 20:5 (580-582) DOI: 10.1089/ast.2020.2247)
2020 Onofri, S.; Balucani, N.; Barone, V.; Benedetti, P.; Billi, D.; Balbi, A.; Brucato, J. R.; Cobucci-Ponzano, B.; Costanzo, G.; Rocca, N. L.; Moracci, M.; Saladino, R.; Vladilo, G.; Albertini, N.; Battistuzzi, M.; Bloino, J.; Botta, L.; Casavecchia, P.; Cassaro, A.; Claudi, R.; Cocola, L.; Coduti, A.; Di Donato, P.; Di Mauro, E.; Dore, L.; Falcinelli, S.; Fulle, M.; Ivanovski, S.; Lombardi, A.; Mancini, G.; Maris, M.; Maurelli, L.; Murante, G.; Negri, R.; Pacelli, C.; Pagano, I.; Piccinino, D.; Poletto, L.; Prantera, G.; Puzzarini, C.; Rampino, S.; Ripa, C.; Rosi, M.; Sanna, M.; Selbmann, L.; Silva, L.; Skouteris, D.; Strazzulli, A.; Tasinato, N.; Timperio, A. M.; Tozzi, A.; Tozzi, G. P.; Trainotti, L.; Ugliengo, P.; Vaccaro, L.; Zucconi, L.
A general user-friendly tool for kinetic calculations of multi-step reactions within the virtual multifrequency spectrometer project
2020 Nandi, S.; Ballotta, B.; Rampino, S.; Barone, V.
The Italian National Project of Astrobiology - Life in Space - Origin, Presence, Persistence of Life in Space, from Molecules to Extremophiles
2020 Onofri, S.; Balucani, N.; Barone, V.; Benedetti, P.; Billi, D.; Balbi, A.; Brucato, J. R.; Cobucci-Ponzano, B.; Costanzo, G.; Rocca, N. L.; Moracci, M.; Saladino, R.; Vladilo, G.; Albertini, N.; Battistuzzi, M.; Bloino, J.; Botta, L.; Casavecchia, P.; Cassaro, A.; Claudi, R.; Cocola, L.; Coduti, A.; Di Donato, P.; Di Mauro, E.; Dore, L.; Falcinelli, S.; Fulle, M.; Ivanovski, S.; Lombardi, A.; Mancini, G.; Maris, M.; Maurelli, L.; Murante, G.; Negri, R.; Pacelli, C.; Pagano, I.; Piccinino, D.; Poletto, L.; Prantera, G.; Puzzarini, C.; Rampino, S.; Ripa, C.; Rosi, M.; Sanna, M.; Selbmann, L.; Silva, L.; Skouteris, D.; Strazzulli, A.; Tasinato, N.; Timperio, A. M.; Tozzi, A.; Tozzi, G. P.; Trainotti, L.; Ugliengo, P.; Vaccaro, L.; Zucconi, L.
Chemical bonding in cuprous complexes with simple nitriles: Octet rule and resonance concepts: Versus quantitative charge-redistribution analysis
2020 Potenti, S.; Paoloni, L.; Nandi, S.; Fuse', M.; Barone, V.; Rampino, S.
Charge-Flow Profiles along Curvilinear Paths: A Flexible Scheme for the Analysis of Charge Displacement upon Intermolecular Interactions
2021 Sagresti, Luca; Rampino, Sergio
Competition between abstraction and addition channels for the reaction between the OH radical and vinyl alcohol in the interstellar medium
2023 Ballotta, Bernardo; Martínez-Núñez, Emilio; Rampino, Sergio; Barone, Vincenzo
New prebiotic molecules in the interstellar medium from the reaction between vinyl alcohol and CN radicals: unsupervised reaction mechanism discovery, accurate electronic structure calculations and kinetic simulations
2023 Ballotta, Bernardo; Martínez-Núñez, Emilio; Rampino, Sergio; Barone, Vincenzo
Toward the detection of cyanoketene in the interstellar medium : new hints from quantum chemistry and rotational spectroscopy
2023 Ballotta, Bernardo; Marforio, Tainah D.; Rampino, Sergio; Martínez-Núñez, Emilio; Barone, Vincenzo; Melosso, Mattia; Bottoni, Andrea; Dore, Luca
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