Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: effect of protonation of histidine residues
2004 E., Langella; R., Improta; Barone, Vincenzo
Chemical and structural diversity in eumelanins : unexplored bio-optoelectronic materials
2009 D'Ischia, Marco; Napolitano, Alessandta; Pezzella, Alessandro; Meredith, Paul; Sarna, Tadeusz
The Chemical Bond and s-d Hybridization in Coinage Metal(I) Cyanides
2019 De Santis, M.; Rampino, S.; Storchi, L.; Belpassi, L.; Tarantelli, Francesco
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.
Chemical generation of volatile species in analytical chemistry
2013 Pagliano, Enea
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.
Chemical, Pulse Radiolysis and Density Functional Studies of a New, Labile 5,6-Indolequinone and Its Semiquinone.
2007 A., Pezzella; O., Crescenzi; A., Natangelo; L., Panzella; A., Napolitano; S., Navaratnam; R., Edge; E. J., Land; Barone, Vincenzo; M., D'Ischia; D'Ischia, Marco
Chemically accurate energy barriers of small gas molecules moving through hexagonal water rings
2016 Hjertenæs, Eirik; Trinh, Thuat T.; Koch, Henrik
CHEMISORPTION OF ATOMIC AND MOLECULAR-OXYGEN ON THE (100) SURFACE OF SILICON - A THEORETICAL-STUDY
1985 Barone, Vincenzo; Lelj, F; Russo, N; Toscano, M.
CHEMISTRY OF ETHANEDIYL S,S-ACETALS .6. AN EXAMPLE OF VICARIOUS NUCLEOPHILIC-SUBSTITUTION OF HYDROGEN IN 1,4-BENZODITHIANS
1993 Caputo, R; Denisco, M; Palumbo, G; Adamo, C; Barone, Vincenzo
Chemistry of nitrated lipids: remarkable instability of 9-nitrolinoleic acid in neutral aqueous medium and a novel nitronitrate ester product by concurrent autoxidation/nitric oxide-release pathways.
2008 Manini, P.; Capelli, L.; Reale, S.; Arzillo, M.; Crescenzi, O.; Napolitano, A.; Barone, Vincenzo; D'Ischia, M.; D'Ischia, Marco
The chemistry of unsaturated hydrocarbyl ligands bridging coordinated in diiron or diruthenium complexes
2011 Boni, Adriano
Cherry-picking functionally relevant substates from long md trajectories using a stratified sampling approach
2016 Chandramouli, B.; Mancini, G.
Chimica ossidativa del 17b-estradiolo e composti correlati
2005 Lista, L.; Pezzella, Alessandro; Manini, Paola; Napolitano, Alessandra; D'Ischia, Marco
La chimica teorica e computazionale in Italia
2005 Barone, Vincenzo; A., Polimeno
Chloromethane-water adduct: Rotational spectrum, weak hydrogen bonds, and internal dynamics
2015 Gou, Qian; Spada, Lorenzo; Lòpez, Juan Carlos; Grabow, Jens-Uwe; Caminati, Walther
Cholesky Decomposition Techniques in Electronic Structure Theory
2011 Aquilante, Francesco; Boman, Linus; Boström, Jonas; Koch, Henrik; Lindh, Roland; Sánchez de Merás, Alfredo; Bondo Pedersen, Thomas
Cholesky decomposition-based definition of atomic subsystems in electronic structure calculations
2010 Sánchez De Merás, Alfredo M. J.; Koch, Henrik; Cuesta, Inmaculada García; Boman, Linus
Choosing the probe for single-molecule fluorescence microscopy
2022 Schirripa Spagnolo, Chiara; Luin, Stefano
Circular dichroism and optical rotation of lactamide and 2-aminopropanol in aqueous solution
2013 Pikulska, A.; Hopmann, K. H.; Bloino, J.; Pecul, M.
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