Sfoglia per Chimica e Geologia
Structure and magnetic properties of nitroxide molecular crystals by density functional calculations employing periodic boundary conditions
2002 Improta, R.; Barone, Vincenzo; Kudin, K. N.; Scuseria, G. E.
Structure and magnetic properties of oxoverdazyl radicals and biradicals by an integrated computational approach
1999 Barone, Vincenzo; Bencini, A.; Ciofini, I.; Daul, C.
Structure and X-ray spectrum of crystalline poly(3-hexylthiophene) from DFT-van der Waals calculations
2011 Colle, Renato; Grosso, Giuseppe; Ronzani, Alberto; Zicovich Wilson Claudio, M.
Structure of melanins
2011 Ito, S.; Wakamatsu, K.; D'Ischia, M.; Napolitano, A.; Pezzella, A.
Structure, dynamics and magnetic properties of prototypical nitroxide spin-probes in protic solutions
2006 M., Pavone; P., Cimino; Barone, Vincenzo
STRUCTURE, EPR PARAMETERS, AND REACTIVITY OF ORGANIC FREE-RADICALS FROM A DENSITY-FUNCTIONAL APPROACH
1995 Barone, Vincenzo
STRUCTURE, THERMOCHEMISTRY, AND MAGNETIC-PROPERTIES OF BINARY COPPER CARBONYLS BY A DENSITY-FUNCTIONAL APPROACH
1995 Barone, Vincenzo
Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory
2009 Mennucci, B; Cappelli, Chiara; Guido, CIRO ACHILLE; R., Cammi; J., Tomasi
Structures and properties of lanthanide and actinide complexes by a new density functional approach. Lanthanum, gadolinium, lutetium and thorium halides as case studies
2000 Adamo, C.; Barone, Vincenzo
STRUCTURES AND RELATIVE STABILITIES OF [C2H6N]+ IONS - A NON-EMPIRICAL AND MNDO STUDY
1985 Barone, Vincenzo; Lelj, F; Grande, P; Russo, N.
Structures and spectroscopic characteristics of 5,6-dihydro-6-thymyl and 5,6-dihydro-5-thymyl radicals by an integratedd approach including electronic, vibrational and solvent effects
1998 F., Jolibois; J., Cadet; A., Grand; R., Subra; Barone, Vincenzo; N., Rega
Structures, hyperfine parameters, and inversion barriers of cyclopropyl and oxiranyl radicals
1996 Barone, Vincenzo; Adamo, C; Brunel, Y; Subra, R.
Structure–Properties Relationships in Triplet Ground State Organic Diradicals: A Computational Study
2013 Barone, Vincenzo; Corentin, Boilleau; Ivo, Cacelli; Alessandro, Ferretti; Susanna, Monti; Giacomo, Prampolini
Studio comparativo della formazione di gliossale per degradazione ossidativa di monosaccaridi e composti correlati indotta dal reagente di Fenton
2006 P., Manini; Panzella, L.; Napolitano, A.; D'Ischia, M.
Study of prototypical Diels-Alder reactions by a hybrid density functional Hartree-Fock approach
1996 Barone, Vincenzo; Amaud, R.
Study of the benzene·N2intermolecular potential-energy surface
2003 Lee, Soohyun; Romascan, Joann; Felker, Peter M.; Pedersen, Thomas Bondo; Fernández, Berta; Koch, Henrik
Study of the dynamics of the OH radical inside a carbon nanotube
2012 Skouteris, Dimitrios; Lagana', A.
A study of the impact of long range interactions on the reactivity of N + N2 using the Grid Empowered Molecular Simulator GEMS
2010 Rampino, Sergio; Pirani, Fernando; Garcia, Ernesto; Laganà, Antonio
Study of the Passage of an H+ Ion Along a Carbon Nanotube Using Quantum Wavepacket Dynamics
2006 Skouteris, Dimitrios; Lagana', A.
Study of the Vibrational Spectra and Absorption Cross Sections of 1-chloro-1-fluoroethene by a Joint Experimental and Ab Initio Approach
2016 Pietropolli Charmet, Andrea; Stoppa, Paolo; Tasinato, Nicola; Giorgianni, Santi; Gambi, Alberto
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