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Mostrati risultati da 1.624 a 1.643 di 1.986
Titolo Data di pubblicazione Autori Tipo File
Structure and magnetic properties of nitroxide molecular crystals by density functional calculations employing periodic boundary conditions 2002 BARONE, Vincenzo + 1.1 Articolo in rivista
Structure and magnetic properties of oxoverdazyl radicals and biradicals by an integrated computational approach 1999 BARONE, Vincenzo + 1.1 Articolo in rivista
Structure and X-ray spectrum of crystalline poly(3-hexylthiophene) from DFT-van der Waals calculations 2011 COLLE, RENATORONZANI, ALBERTO + 1.1 Articolo in rivista
Structure of melanins 2011 D'Ischia M. + 2.1 Contributo in volume (Capitolo o Saggio)
Structure, dynamics and magnetic properties of prototypical nitroxide spin-probes in protic solutions 2006 BARONE, Vincenzo + 4.1 Contributo in Atti di convegno
STRUCTURE, EPR PARAMETERS, AND REACTIVITY OF ORGANIC FREE-RADICALS FROM A DENSITY-FUNCTIONAL APPROACH 1995 BARONE, Vincenzo 1.1 Articolo in rivista
STRUCTURE, THERMOCHEMISTRY, AND MAGNETIC-PROPERTIES OF BINARY COPPER CARBONYLS BY A DENSITY-FUNCTIONAL APPROACH 1995 BARONE, Vincenzo 1.1 Articolo in rivista
Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory 2009 CAPPELLI, ChiaraGUIDO, CIRO ACHILLE + 1.1 Articolo in rivista
Structures and properties of lanthanide and actinide complexes by a new density functional approach. Lanthanum, gadolinium, lutetium and thorium halides as case studies 2000 BARONE, Vincenzo + 1.1 Articolo in rivista
STRUCTURES AND RELATIVE STABILITIES OF [C2H6N]+ IONS - A NON-EMPIRICAL AND MNDO STUDY 1985 BARONE, Vincenzo + 1.1 Articolo in rivista
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 BARONE, Vincenzo + 1.1 Articolo in rivista
Structures, hyperfine parameters, and inversion barriers of cyclopropyl and oxiranyl radicals 1996 BARONE, Vincenzo + 1.1 Articolo in rivista
Structure–Properties Relationships in Triplet Ground State Organic Diradicals: A Computational Study 2013 BARONE, Vincenzo + 1.1 Articolo in rivista
Studio comparativo della formazione di gliossale per degradazione ossidativa di monosaccaridi e composti correlati indotta dal reagente di Fenton 2006 D'ISCHIA M. + 4.1 Contributo in Atti di convegno
Study of prototypical Diels-Alder reactions by a hybrid density functional Hartree-Fock approach 1996 BARONE, Vincenzo + 1.1 Articolo in rivista
Study of the benzene·N2intermolecular potential-energy surface 2003 Koch, Henrik + 1.1 Articolo in rivista
Study of the dynamics of the OH radical inside a carbon nanotube 2012 SKOUTERIS, Dimitrios + 4.3 Poster
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 + 1.1 Articolo in rivista
Study of the Passage of an H+ Ion Along a Carbon Nanotube Using Quantum Wavepacket Dynamics 2006 SKOUTERIS, Dimitrios + 1.1 Articolo in rivista
Study of the Vibrational Spectra and Absorption Cross Sections of 1-chloro-1-fluoroethene by a Joint Experimental and Ab Initio Approach 2016 TASINATO, Nicola + 1.1 Articolo in rivista
Mostrati risultati da 1.624 a 1.643 di 1.986
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