Here you can find the updated list of all the publications of CSGI members and affilated staff. Please note that the only publications listed here are those published after the affilation of each member. If you are interested in the whole bibliography of CSGI members, including articles and books published before affilation to CSGI, please refer to academic research databases, such as Scopus, Web Of Science, Google Scholar, ect.
You can use the search bar below to filter the publication list.
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
- Ballotta B. - Martínez-Núñez E. - Sergio Rampino - Vincenzo BaroneCompetition between Abstraction and Addition Channels for the Reaction between the OH Radical and Vinyl Alcohol in the Interstellar Medium
- Ballotta B. - Martínez-Núñez E. - Sergio Rampino - Vincenzo BaroneThe roto-conformational diffusion tensor as a tool to interpret molecular flexibility
- Sergio Rampino - Zerbetto M. - Polimeno A.Toward the Detection of Cyanoketene in the Interstellar Medium: New Hints from Quantum Chemistry and Rotational Spectroscopy
- Ballotta B. - Marforio T.D. - Sergio Rampino - Martínez-Núñez E. - Vincenzo Barone - Melosso M. - Bottoni A. - Dore L.Local charge-displacement analysis: Targeting local charge-flows in complex intermolecular interactions
- Nottoli G. - Ballotta B. - Sergio RampinoChemistry at the Frontier with Physics and Computer Science: Theory and Computation
- Sergio RampinoCharge-flow profiles along curvilinear paths: A flexible scheme for the analysis of charge displacement upon intermolecular interactions
- Luca Sagresti - Sergio RampinoStochastic modelling of13c nmr spin relaxation experiments in oligosaccharides
- Sergio Rampino - Zerbetto M. - Polimeno A.Gas-Phase Formation and Isomerization Reactions of Cyanoacetaldehyde, a Prebiotic Molecule of Astrochemical Interest
- Ballotta B. - Nandi S. - Vincenzo Barone - Sergio RampinoA general user-friendly tool for kinetic calculations of multi-step reactions within the virtual multifrequency spectrometer project
- Nandi S. - Ballotta B. - Sergio Rampino - Vincenzo BaroneChemical promenades: Exploring potential-energy surfaces with immersive virtual reality
- Martino M. - Salvadori A. - Lazzari F. - Paoloni L. - Nandi S. - Mancini G. - Vincenzo Barone - Sergio RampinoChemical bonding in cuprous complexes with simple nitriles: Octet rule and resonance concepts: Versus quantitative charge-redistribution analysis
- Potenti S. - Paoloni L. - Nandi S. - Fusè M. - Vincenzo Barone - Sergio RampinoThe Italian National Project of Astrobiology - Life in Space - Origin, Presence, Persistence of Life in Space, from Molecules to Extremophiles
- Onofri S. - Balucani N. - Vincenzo Barone - 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. - Julien Bloino - 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. - Sergio Rampino - Ripa C. - Rosi M. - Sanna M. - Selbmann L. - Silva L. - Skouteris D. - Strazzulli A. - Nicola Tasinato - Timperio A.M. - Tozzi A. - Tozzi G.P. - Trainotti L. - Ugliengo P. - Luigi Vaccaro - Zucconi L.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)
- Onofri S. - Balucani N. - Vincenzo Barone - 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. - Julien Bloino - 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. - Sergio Rampino - Ripa C. - Rosi M. - Sanna M. - Selbmann L. - Silva L. - Skouteris D. - Strazzulli A. - Nicola Tasinato - Timperio A.M. - Tozzi A. - Tozzi G.P. - Trainotti L. - Ugliengo P. - Luigi Vaccaro - Zucconi L.Ferrocenes with simple chiral substituents: An in-depth theoretical and experimental VCD and ECD study
- Patti A. - Pedotti S. - Mazzeo G. - Longhi G. - Abbate S. - Paoloni L. - Julien Bloino - Sergio Rampino - Vincenzo BaroneA Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations
- Nandi S. - Calderini D. - Julien Bloino - Sergio Rampino - Vincenzo BaroneMachine Learning of Potential-Energy Surfaces Within a Bond-Order Sampling Scheme
- Licari D. - Sergio Rampino - Vincenzo BaronePotential-Energy Surfaces for Ring-Puckering Motions of Flexible Cyclic Molecules through Cremer-Pople Coordinates: Computation, Analysis, and Fitting
- Paoloni L. - Sergio Rampino - Vincenzo BaroneVirtual reality tools for advanced modeling
- Lupi J. - Martino M. - Salvadori A. - Sergio Rampino - Mancini G. - Vincenzo BaroneThe Chemical Bond and s-d Hybridization in Coinage Metal(I) Cyanides
- De Santis M. - Sergio Rampino - Storchi L. - Belpassi L. - Tarantelli F.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
- Fusè M. - Rimoldi I. - Facchetti G. - Sergio Rampino - Vincenzo BaroneCharge-displacement analysis via natural orbitals for chemical valence in the four-component relativistic framework
- De Santis M. - Sergio Rampino - Quiney H.M. - Belpassi L. - Storchi L.Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality
- Salvadori A. - Fusè M. - Mancini G. - Sergio Rampino - Vincenzo BaroneTheory Meets Experiment for Noncovalent Complexes: The Puzzling Case of Pnicogen Interactions
- Li W. - Spada L. - Nicola Tasinato - Sergio Rampino - Evangelisti L. - Gualandi A. - Cozzi P. - Melandri S. - Vincenzo Barone - Puzzarini C.Unveiling the Sulfur–Sulfur Bridge: Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond
- Obenchain D.A. - Spada L. - Alessandrini S. - Sergio Rampino - Herbers S. - Nicola Tasinato - Mendolicchio M. - Kraus P. - Gauss J. - Puzzarini C. - Grabow J.U. - Vincenzo BaroneOn the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes
- Fusè M. - Rimoldi I. - Cesarotti E. - Sergio Rampino - Vincenzo BaroneAutomated simulation of gas-phase reactions on distributed and cloud computing infrastructures
- Sergio Rampino - Storchi L. - Laganà A. Thermal rate coefficients for the astrochemical process C + CH+ → C