Sfoglia per Chimica e Geologia
Local charge-displacement analysis : targeting local charge-flows in complex intermolecular interactions
2022 Nottoli, Giovanni; Ballotta, Bernardo; Rampino, Sergio
Looking for the Elusive Imine Tautomer of Creatinine: Different States of Aggregation Studied by Quantum Chemistry and Molecular Spectroscopy
2021 Leon, I.; Tasinato, N.; Spada, L.; Alonso, E. R.; Mata, S.; Balbi, A.; Puzzarini, C.; Alonso, J. L.; Barone, V.
Low temperature kinetics and theoretical studies of the reaction CN + CH3NH2: a potential source of cyanamide and methyl cyanamide in the interstellar medium
2018 Sleiman, Chantal; El Dib, Gisèle; Rosi, Marzio; Skouteris, Dimitrios; Balucani, Nadia; Canosa, André
Low- and high-density forms of liquid water revealed by a new medium-range order descriptor
2022 Faccio, C.; Benzi, M.; Zanetti-Polzi, L.; Daidone, I.
Low-lying electronic excitations of a water-soluble BODIPY: from the gas phase to the solvated molecule
2016 Egidi, Franco; Trani, Fabio; Ballone, Pietro A.; Barone, Vincenzo; Andreoni, Wanda
Luminescent chiral ionic Ir(III) complexes: Synthesis and photophysical properties
2016 Ricciardi, Loredana; La Deda, Massimo; Ionescu, Andreea; Godbert, Nicolas; Aiello, Iolinda; Ghedini, Mauro; Fusè, Marco; Rimoldi, Isabella; Cesarotti, Edoardo
Luminescent water-soluble cycloplatinated complexes: Structural, photophysical, electrochemical and chiroptical properties
2017 Ionescu, Andreea; Godbert, Nicolas; Ricciardi, Loredana; La Deda, Massimo; Aiello, Iolinda; Ghedini, Mauro; Rimoldi, Isabella; Cesarotti, Edoardo; Facchetti, Giorgio; Mazzeo, Giuseppe; Longhi, Giovanna; Abbate, Sergio; Fusè, Marco
M. d'Ischia, C. Costantini, G. Prota. Reaction of dopamine with malondialdehyde: a possible underlying event in Parkinson's disease
1993 D'Ischia, M.; Costantini, C.; Prota., G.
Machine Learning of Potential-Energy Surfaces Within a Bond-Order Sampling Scheme
2019 Licari, D.; Rampino, S.; Barone, V.
MACRO-INORGANICS .3. CHELATION OF COPPER(II) ION WITH SOME POLYMERS HAVING A POLY(AMIDO-AMINE) STRUCTURE AND THEIR NON-MACROMOLECULAR MODELS
1980 Barbucci, R; Barone, Vincenzo; Ferruti, P; Delfini, M.
MACRO-INORGANICS .6. PROTONATION AND COMPLEX-FORMATION OF A NEW SERIES OF POLYMERS WHOSE REPEATING UNITS BEHAVE INDEPENDENTLY
1981 Ferruti, P; Danzo, N; Oliva, L; Barbucci, R; Barone, Vincenzo
MACROINORGANICS - .8. CHELATION OF COPPER(II) ION WITH SOME NEW POLY(AMIDO-AMINES)
1982 Barbucci, R; Casolaro, M; Ferruti, P; Barone, Vincenzo
MACROINORGANICS .7. PROPERTY-STRUCTURE RELATIONSHIPS FOR POLYMERIC BASES WHOSE MONOMERIC UNITS BEHAVE INDEPENDENTLY TOWARD PROTONATION
1981 Barbucci, R; Casolaro, M; Ferruti, P; Barone, Vincenzo; Lelj, F; Oliva, L.
MACROINORGANICS .9. ENTHALPIES OF PROTONATION AND COPPER(II) COMPLEX-FORMATION OF SOME POLY(AMIDO AMINES)
1983 Barbucci, R; Casolaro, M; Barone, Vincenzo; Ferruti, P; Tramontini, M.
Magnetic coupling in biradicals, binuclear complexes and wide gap insulators: a survey of ab-initio wave function and density functional theory approaches
2000 Illas, F.; De, P. R. MOREIRA I.; DE GRAAF, C.; Barone, Vincenzo
Magnetic coupling in bis-nitronylnitroxide radicals: The role of aromatic bridges
2009 Barone, Vincenzo; I., Cacelli; A., Ferretti
Magnetic gaps in organic tri-radicals: From a simple model to accurate estimates
2017 Barone, Vincenzo; Cacelli, Ivo; Ferretti, Alessandro; Prampolini, Giacomo
Magnetic properties of nitroxide spinprobes: reliable account of molecular motions and non specific solvent effects by time-dependent and time-independent approaches
2010 M., Pavone; M., Biczysko; N., Rega; Barone, Vincenzo
Magneto-Structural Relationships for Radical Cation and Neutral Pyridinophane Structures with Intrabridgehead Nitrogen Atoms. An Integrated Experimental and Quantum Mechanical Study
2009 F., Williams; G. F., Chen; S. M., Mattar; P. H., Scudder; D. A., TRIEBER II; J. G., Saven; D. C., Whritenour; P., Cimino; Barone, Vincenzo
Mapping the many electron generalised spin-exchange Hamiltonian to accurate post-HF calculations
2005 I., Ciofini; C., Adamo; Barone, Vincenzo; G., Berthier; A., Rassat
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