Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Integration of Quantum Chemistry, Statistical Mechanics, and Artificial Intelligence for Computational Spectroscopy: The UV–Vis Spectrum of TEMPO Radical in Different Solvents
2022 Falbo, Emanuele; Fusè, Marco; Lazzari, Federico; Mancini, Giordano; Barone, Vincenzo
Integration of theory, simulation, artificial intelligence and virtual reality: A four-pillar approach for reconciling accuracy and interpretability in computational spectroscopy
2021 Barone, V.; Puzzarini, C.; Mancini, G.
Interaction of anthralin with cysteine: a new entry into the chemistry of biologically active anthrones
1984 D'Ischia, M.; Privitera, A.; Prota., G.
INTERACTION OF CARBON-ATOMS WITH THE BASAL-PLANE OF GRAPHITE - A THEORETICAL-STUDY OF THE CHEMISORPTION ON MODEL FINITE CLUSTER COMPOUNDS
1987 Russo, N; Iaconis, E; Toscano, M; Barone, Vincenzo; Minichino, C.
Interaction of collagen with chlorosulphonated paraffin tanning agents: Fourier transform infrared spectroscopic analysis and molecular dynamics simulations
2013 Susanna, Monti; Emilia, Bramanti; Valentina Della, Porta; Massimo, Onor; Alessandro, D'Ulivo; Barone, Vincenzo
Interactions and reactivity in crystalline intermediates of mechanochemical cyclorhodation reactions
2024 Gómez, Sara; Gómez, Santiago; Rojas-Valencia, Natalia; Hernández, José G; Ardila-Fierro, Karen J; Gómez, Tatiana; Cárdenas, Carlos; Hadad, Cacier; Cappelli, Chiara; Restrepo, Albeiro
Interactions between alkanes and aromatic molecules: A rotational study of pyridine-methane
2014 Gou, Qian; Spada, Lorenzo; Vallejo-López, Montserrat; Lesarri, Alberto; Cocinero, Emilio J.; Caminati, Walther
Interactions between Carboxylic Acids and Heteroaromatics: A Rotational Study of Formic Acid-Pyridine
2016 Spada, Lorenzo; Gou, Qian; Giuliano, Barbara M.; Caminati, Walther
Interactions between freons and aromatic molecules: The rotational spectrum of pyridine-difluoromethane
2014 Vallejo-López, Montserrat; Spada, Lorenzo; Gou, Qian; Lesarri, Alberto; Cocinero, Emilio J.; Caminati, Walther
Interactions between freons: A rotational study of CH2F2-CH2Cl2
2014 Gou, Qian; Spada, Lorenzo; Vallejo-Lõpez, Montserrat; Kisiel, Zbigniew; Caminati, Walther
Interactions in Solvents and Solutions
2000 Tomasi, J; Mennucci, B; Cappelli, Chiara
Interactions of Nitric Oxide with Lipid Peroxidation Products under Aerobic Conditions: Inhibitory Effects on the Formation of Malondialdehyde and Related Thiobarbituric Acid-Reactive Substances
2000 D'Ischia, M.; Anna, Palumbo; Ferdinando., Buzzo
Interactions of Nucleotide Bases with Decorated Si Surfaces from Molecular Dynamics Simulations
2011 S., Monti; G., Prampolini; Barone, Vincenzo
Intermolecular Hydrogen Bonding in 2-Fluoropyridine-Water
2016 Gou, Qian; Spada, Lorenzo; Vallejo-Lopez, Montserrat; Melandri, Sonia; Lesarri, Alberto; Cocinero, Emilio J.; Caminati, Walther
Intermolecular pi-Electron Perturbations Generate Extrinsic Visible Contributions to Eumelanin Black Chromophore in Model Polymers with Interrupted Interring Conjugation
2013 L., Ascione; Pezzella, Alessandro; Ambrogi, Veronica; Carfagna, Cosimo; D'Ischia, Marco
Internal dynamics in Halogen-Bonded adducts: A rotational study of chlorotrifluoromethane-formaldehyde
2015 Gou, Qian; Feng, Gang; Evangelisti, Luca; Vallejo-López, Montserrat; Spada, Lorenzo; Lesarri, Alberto; Cocinero, Emilio J.; Caminati, Walther
Internal Electric Field of GRAM- Unspecific Porins Directs the Choreography of Antibiotic Translocation
2016 Scorciapino, Mariano A.; D'Agostino, Tommaso; Acosta-Gutierrez, Silvia; Bodrenko, Igor; Ceccarelli, Matteo
Interplay between conformational and solvent effects in UV-visible absorption spectra: curcumin tautomers as a case study
2019 Puglisi, Alessandra; Giovannini, Tommaso; Antonov, Liudmil; Cappelli, Chiara
Interplay between lipid lateral diffusion, dye concentration and membrane permeability unveiled by a combined spectroscopic and computational study of a model lipid bilayer
2019 Jan Akhunzada, Muhammad; D'Autilia, Francesca; Chandramouli, Balasubramanian; Bhattacharjee, Nicholus; Catte, Andrea; Di Rienzo, Roberto; Cardarelli, Francesco; Brancato, Giuseppe
Interplay between “Neutral” and “Charge-Transfer” Excimers Rules the Excited State Decay in Adenine-Rich Polynucleotides
2011 R., Improta; Barone, Vincenzo
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file non ad Accesso aperto
- file sotto embargo
- nessun file disponibile