Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
On the distribution of local molecular symmetry in crystals
2000 Brancato, Giuseppe; Zerbetto, F.
On the inherent divergence in the Møller-Plesset series. The neon atom - A test case
1996 Christiansen, Ove; Olsen, Jeppe; Jørgensen, Poul; Koch, Henrik; Malmqvist, Per-Åke
ON THE INTERACTION OF HALOGEN ATOMS WITH (111) AND (100) SURFACES OF SILICON
1986 Barone, Vincenzo; Lelj, F; Russo, N; Toscano, M.
On the interpretation of continuous wave electron spin resonance spectra of tempo-palmitate in 5-cyanobiphenyl
2008 M., Zerbetto; A., Polimeno; P., Cimino; Barone, Vincenzo
ON THE MECHANISM OF PROTONATION OF TRIAMINES
1980 Delfini, M; Segre, Al; Conti, F; Barbucci, R; Barone, Vincenzo; Ferruti, P.
On the mechanism of spin polarization in aromatic free radicals
2000 Adamo, C.; Barone, Vincenzo; Subra, R.
On the nature of charge-transfer excitations for molecules in aqueous solution: a polarizable QM/MM study
2018 Egidi, Franco; LO GERFO, Giulia; Macchiagodena, Marina; Cappelli, Chiara
On the Performance of Continuum Solvation Methods. A Comment on “Universal Approaches to Solvation Modeling”
2009 A., Klamt; B., Mennucci; J., Tomasi; Barone, Vincenzo; C., Curutchet; M., Orozco; F. J., Luque
On the Photochemistry of 1,2-Benzisoxazole: Capture of Elusive Spiro-2H-azirine and Ketenimine Intermediates
2016 Nunes, Cláudio M.; Pinto, Sandra M. V.; Reva, Igor; Fausto, Rui
On the properties of microsolvated molecules in the ground (S0) and excited (S1) states: The anisole-ammonia 1:1 complex
2007 M., Biczysko; G., Piani; M., Pasquini; N., Schiccheri; G., Pietrapezia; M., Becucci; M., Pavone; Barone, Vincenzo
On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes
2017 Fusè, Marco; Rimoldi, Isabella; Cesarotti, Edoardo; Rampino, Sergio; Barone, Vincenzo
On the role of stereo-electronic effects in tuning the selectivity and rate of DNA alkylation by duocarmycins
2006 P., Cimino; G., Bifulco; R., Riccio; L., GOMEZ PALOMA; Barone, Vincenzo
ON THE SHAPES OF WEAKLY ADSORBED TWO-DIMENSIONAL CLUSTERS
1980 Delre, G; Barone, Vincenzo; Montella, N; Julg, A.
On the simulation of vibrationally resolved electronic spectra of medium-size molecules: The case of styryl substituted BODIPYs
2019 Fortino, M.; Bloino, J.; Collini, E.; Bolzonello, L.; Trapani, M.; Faglioni, F.; Pedone, A.
On the Stability of X2NO radicals (X=F,Cl,Br,I)
2009 C., Puzzarini; Barone, Vincenzo
On the temperature dependence of the rate coefficient of formation of C2+from C + CH+
2016 Rampino, Sergio; Pastore, Mariachiara; Garcia, Ernesto; Pacifici, Leonardo; Laganà, Antonio
On the time-dependent Lagrangian approach in quantum chemistry
1998 Pedersen, Thomas Bondo; Koch, Henrik
On the Transition from a Biomimetic Molecular Switch to a Rotary Molecular Motor
2021 Paolino, Marco; Giovannini, Tommaso; Manathunga, Madushanka; Latterini, Loredana; Zampini, Giulia; Pierron, Robin; Léonard, Jérémie; Fusi, Stefania; Giorgi, Gianluca; Giuliani, Germano; Cappelli, Andrea; Cappelli, Chiara; Olivucci, Massimo
One-step functionalization of mildly and strongly reduced graphene oxide with maleimide: An experimental and theoretical investigation of the Diels-Alder [4+2] cycloaddition reaction
2022 Ferretti, A.; Sinha, S.; Sagresti, L.; Araya-Hermosilla, E.; Prato, M.; Mattoli, V.; Pucci, A.; Brancato, G.
The ONIOM/PMM Model for Effective Yet Accurate Simulation of Optical and Chiroptical Spectra in Solution: Camphorquinone in Methanol as a Case Study
2020 Del Galdo, S.; Fuse', M.; Barone, V.
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