Sfoglia per Autore
A theoretical MO ab initio approach to the conformational properties and homolytic bond cleavage in aryl disulphides
1997 Benassi, Rois; Fiandri, Gl; Taddei, Ferdinando
A theoretical approach to the factorization of the effects governing the barrier for internal rotation around the C(sp(2))-C(sp(3)) bond into alpha-substituted toluenes
1997 Benassi, Rois; Taddei, Ferdinando
NMR spectroscopic and theoretical structural study of 5-exo-methylene-substituted hydantoins
1998 Benassi, Rois; Bregulla, A; Friedrich, A; Henning, D; Heydenreich, M; Mickler, W; Kleinpeter, E; Kempter, G; Schilde, U; Taddei, Ferdinando
A theoretical study of the effects governing the internal rotation process in allyl derivatives
1998 Benassi, Rois; Taddei, Ferdinando
NMR spectroscopic and theoretical structural analysis of 5-benzyl substituted hydantoins in solution
1999 Benassi, Rois; Bregulla, A; Henning, D; Heydenreich, M; Kempter, G; Kleinpeter, E; Taddei, Ferdinando
Complete basis set model chemistry applied to molecules of increasing molecular complexity: Thermochemical properties of organic sulfur derivatives
2000 Benassi, Rois; Taddei, Ferdinando
Exocyclic push-pull conjugated compounds. Part 3. An experimental NMR and theoretical MO ab initio study of the structure, the electronic properties and barriers to rotation about the exocyclic partial double bond in 2-exo-methylene-and 2-cyanoimino-quinazolines and-benzodiazepines
2000 Benassi, Rois; Bertarini, C; Hilfert, L; Kempter, G; Kleinpeter, E; Spindler, J; Taddei, Ferdinando; Thomas, S.
Exocyclic push-pull conjugated compounds. Part 1. Theoretical study of the effect of ring size on the structure, electronic properties and rotational barriers of cyclic analogoues of 1,1-diamino-2,2-dicyanoethylene
2000 Benassi, Rois; Bertarini, C; Kleinpeter, E; Taddei, Ferdinando; Thomas, S.
Exocyclic push-pull conjugated compounds. Part 2. The effect of donor and acceptor substituents on the rotational barrier of push-pull ethylenes
2000 Benassi, Rois; Bertarini, C; Kleinpeter, E; Taddei, Ferdinando
Ground-state molecular stabilization of substituted ethylenes. A theoretical mo ab-initio thermochemical study
2001 Benassi, Rois; Taddei, Ferdinando
Exocyclic push-pull conjugated compounds. Part 4. rotational barriers in poorly polarized push-pull ethylenes
2001 Benassi, Rois; Bertarini, C; Taddei, Ferdinando; Kleinpeter, E.
A proposed modification of CBS-4M model chemistry for application to molecules of increasing molecular size
2001 Benassi, Rois
Computational electrochemistry. Ab-initio calculation of solvent effect in the multiple electroreduction of polypyridinic compounds
2002 Fontanesi, Claudio; Benassi, Rois; Giovanardi, Roberto; Marcaccio, M; Paolucci, F; Roffia, S.
Ab initio study of the oxidation of CH3SH to CH3SSCH3
2004 Benassi, Rois
Calculated electron affinities and redox E° values of polypyridinic derivatives
2004 Benassi, Rois; Ferrarini, P.; Fontanesi, Claudio; Benedetti, Luca; Paolucci, F.
A Theoretical Investigation on the Oligomerization of 4-Alkylsulfanyl bithiophene
2005 Passalacqua, Alessio; Parenti, Francesca; Cagnoli, Rita; Mucci, Adele; Schenetti, Luisa; Benassi, Rois
New conjugated beta-diketones as iron chelators for clinical use
2005 Benassi, Rois; Ferrari, Erika; Grandi, Romano; Lazzari, Sandra; Saladini, Monica
Modelling of the initial stages of the electropolymerization mechanism of o-phenylenediamine
2005 G., Camurri G; P., Ferrarini; Giovanardi, Roberto; Benassi, Rois; Fontanesi, Claudio
Symmetric Octithiophenes: One-Pot Synthesis and ElectrochemicalProperties
2006 Preti, Lisa; Mucci, Adele; Schenetti, Luisa; Parenti, Francesca; Cagnoli, Rita; Passalacqua, Alessio; Benassi, Rois; Fontanesi, Claudio; Ferrarini, Paolo; F., Paolucci; M., Marcaccio; C., Bruno
One-pot synthesis of symmetric octithiophenes from asymmetric beta-alkylsulfanyl bithiophenes
2006 Mucci, Adele; Parenti, Francesca; Cagnoli, Rita; Benassi, Rois; Passalacqua, Alessio; Preti, Lisa; Schenetti, Luisa
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