Sfoglia per Chimica e Geologia
On the Calculation of Vibrational Frequencies for Molecules in Solution Beyond the Harmonic Approximation
2010 Cappelli, Chiara; S., Monti; G., Scalmani; Barone, Vincenzo
ON THE CHEMISORPTION OF WATER ON THE (100) SURFACE OF SILICON
1987 Russo, N; Toscano, M; Barone, Vincenzo; Lelj, F.
On the competition between weak O H⋯F and C H⋯F hydrogen bonds, in cooperation with C H⋯O contacts, in the difluoromethane – tert -butyl alcohol cluster
2017 Spada, Lorenzo; Tasinato, Nicola; Bosi, Giulio; Vazart, Fanny; Barone, Vincenzo; Puzzarini, Cristina
On the composition of an arbitrary collection of SU(2) spins: An enumerative combinatoric approach
2018 Gyamfi, J. A.; Barone, V.
On the coordination of Zn2+ion in Tf2N-based ionic liquids: Structural and dynamic properties depending on the nature of the organic cation
2018 Sessa, Francesco; Migliorati, Valentina; Serva, Alessandra; Lapi, Andrea; Aquilanti, Giuliana; Mancini, Giordano; D'Angelo, Paola
On the dissociation of N6 into 3 N2 molecules,
2000 Gagliardi, L.; Evangelisti, S.; Barone, Vincenzo; Roos, B.
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.
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