Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Non-Born-Oppenheimer MCTDH calculations on the confined H2+ molecular ion
2010 Skouteris, Dimitris; Gervasi, Osvaldo; Laganà, Antonio
Non-empirical analysis of unusual chemical bonds. Part III. [LiBH(NH)2)2]+
1983 Barone, V.; Lelj, F.; Pastore, A; Cristnziano, P. L.; Russo, N.
NON-EMPIRICAL ANALYSIS OF UNUSUAL CHEMICAL-BONDS .2. ALH2BH4 AND ALH2C3H5
1981 Barone, Vincenzo; Lelj, F; Russo, N.
NON-EMPIRICAL ANALYSIS OF UNUSUAL CHEMICAL-BONDS .3. [LIBH(NH2)2]+
1983 Barone, Vincenzo; Lelj, F; Pastore, A.
NON-EMPIRICAL AND MNDO STUDY OF THE GEOMETRY AND ELECTRONIC-STRUCTURE OF H2XO RADICALS
1982 Barone, Vincenzo; Cristinziano, Pl; Lelj, F; Pastore, A; Russo, N.
NON-EMPIRICAL CALCULATIONS ON THE CONFORMATION AND HYPERFINE-STRUCTURE OF THE SILYL RADICAL - INFLUENCE OF VIBRATIONAL EFFECTS
1979 Barone, Vincenzo; Douady, J; Ellinger, Y.
Non-enzymic oxidation of cysteinyldopa catalyzed by metallic ions
1983 Palumbo, Anna; Nardi, Giovanna; D'Ischia, Marco; Misuraca, Giovanna; Prota, Giuseppe
The non-octarepeat copper binding site of the prion protein is a key regulator of prion conversion
2015 Giachin, Gabriele; Mai, Phuong Thao; Tran, Thanh Hoa; Salzano, Giulia; Benetti, Federico; Migliorati, Valentina; Arcovito, Alessandro; Della Longa, Stefano; Mancini, Giordano; D'Angelo, Paola; Legname, Giuseppe
Non-periodic boundary conditions for ab initio molecular dynamics in condensed phase using localized basis functions
2006 N., Rega; Brancato, Giuseppe; Barone, Vincenzo
Nonadiabatic photodynamics of phenol on a realistic potential energy surface by a novel multilayer Gaussian MCTDH program
2015 Skouteris, Dimitrios; Barone, Vincenzo
Noncovalent Interactions and Internal Dynamics in Pyridine-Ammonia: A Combined Quantum-Chemical and Microwave Spectroscopy Study
2017 Spada, Lorenzo; Tasinato, Nicola; Vazart, Fanny; Barone, Vincenzo; Caminati, Walther; Puzzarini, Cristina
Noncovalent Interactions in the Gas Phase: The Anisole–Phenol Complex
2011 Pietraperzia, G.; Pasquini, M.; Mazzoni, F.; Piani, G.; Becucci, M.; Biczysko, M.; Michalski, D.; Bloino, J.; Barone, Vincenzo
NONEMPIRICAL CLUSTER MODEL STUDY OF THE ON-TOP CHEMISORPTION OF FLUORINE AND CHLORINE ON C(111) SURFACE
1988 Russo, N; Toscano, M; Amodeo, P; Barone, Vincenzo
NONEMPIRICAL CLUSTER-MODEL STUDY OF THE CHEMISORPTION OF ATOMIC-HYDROGEN ON THE (111) SURFACE OF DIAMOND-LIKE CRYSTALS
1986 Barone, Vincenzo; Lelj, F; Russo, N; Toscano, M; Illas, F; Rubio, J.
NONEMPIRICAL CLUSTER-MODEL STUDY OF THE RELAXATION OF (111) SURFACES OF C, SI, GE
1990 Barone, Vincenzo; Minichino, C; Russo, N; Toscano, M; Illas, F; Rubio, J.
Nonequilibrium formulation of infrared frequencies and intensities in solution: analytical evaluation within the Polarizable Continuum Model
2000 Cappelli, Chiara; S., Corni; R., Cammi; B., Mennucci; J., Tomasi
Norovirus RNA-dependent RNA polymerase: A computational study of metal-binding preferences
2017 Shaik, Md Munan; Bhattacharjee, Nicholus; Feliks, Mikolaj; Ng, Kenneth K. -S.; Field, Martin J.
Novel antioxidant bioinspired phenolic polymers and their applications in packaging
2014 Verotta, L.; Panzella, L.; Ambrogi, V.; Caneva, E.; Persico, P.; Cerruti, Pf.; Lonz, Ca.; Carfagna, C.; Napolitano, A.; D’Ischia, M.
Novel titanium precursors for homo- and co-polymerization of α-olefins: catalytic activity and materials characterization
2011 Hayatifar, Mohammad
NUCLEOPHILIC CYCLOPROPANE RING OPENING IN DUOCARMYCIN SA DERIVATIVES BY METHANOL UNDER ACID CONDITIONS: A QUANTUM MECHANICAL STUDY IN GAS-PHASE AND IN SOLUTION.
2004 Barone, Vincenzo; P., Cimino; R., Improta; G., Bifulco; L., GOMEZ PALOMA
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