Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Expedient synthesis of 5,6-dihydroxyindole and derivatives via an improved Zn(II)-assisted 2,b-dinitrostyrene approach
1999 Luisa, Novellino; D'Ischia, M.; Giuseppe., Prota
EXPERIMENTAL AND THEORETICAL APPROACH TO THE ELECTRONIC-STRUCTURE AND THE MOLECULAR-CONFORMATION OF AZABIPHENYLS - ASYMMETRIC BIPYRIDINES
1985 Barone, Vincenzo; Lelj, F; Commisso, L; Russo, N; Cauletti, C; Piancastelli, Mn
Experimental and theoretical differential cross sections for the reactions Cl + H2/D2
2001 Skouteris, Dimitrios; Werner, H.; Aoiz, F.; Banares, L.; Castillo, J.; Menendez, M.; Balucani, N.; Cartechini, L.; Casavecchia, P.
Experimental and theoretical studies on possible formation routes of organosulfur compounds in extraterrestrial environments
2011 Balucani, Nadia; Leonori, F.; Petrucci, R.; Casavecchia, P.; Skouteris, Dimitrios; Rosi, Marzio
Experimental challenges in organic synthesis for the evaluation of molecular structures and for the study of non-covalent interactions
2022 Potenti, Simone
Experimental Evidence for a Variable First Shell Coordination Shell of Cd2+ in Aqueous and Dimethyl Sulfoxide Solutions
2005 D'Angelo, P; Chillemi, G; Barone, Vincenzo; Mancini, G; Sanna, N; Persson, I.
Exploiting coordination geometry to selectively predict the r-donor and p-acceptor abilities of ligands: A back-and-forth journey between electronic properties and spectroscopy
2018 Fuse', M.; Rimoldi, I.; Facchetti, G.; Rampino, S.; Barone, V.
Exploiting the porin pathway for polar compound delivery into Gram-negative bacteria
2016 Scorciapino, Mariano Andrea; D'Agostino, Tommaso; Acosta-Gutierrez, Silvia; Malloci, Giuliano; Bodrenko, Igor; Ceccarelli, Matteo
Exploration of the conformational and reactive dynamics of glycine and diglycine on TiO2: computational investigations in the gas phase and in solution
2012 Monti, S.; A. C. T., van Duin; K., Sung Yup; Barone, Vincenzo
EXPLORING A CHEMICAL ROUTE FOR THE FORMATION OF STABLE ANIONS OF POLYYNES [CnH−(n= 2, 4)] IN MOLECULAR CLOUDS
2016 Gianturco, F. A.; Satta, M.; Mendolicchio, Marco; Palazzetti, Federico; Piserchia, Andrea; Barone, Vincenzo; Wester, R.
Exploring spin chemistry in melanin and retinal pigment epithelial eye cell using time-resolved EPR and static magnetic fields
2008 A., Marino; A., Wang; E., Gasyna; Z., Gasyna; Panzella, L; Napolitano, A.; D'Ischia, M.; G. SZEWCZY. M., Zare; T., Sarna; J., Norris.
Exploring the conformational and reactive dynamics of biomolecules in solution using an extended version of the glycine reactive force field
2013 Susanna, Monti; Alessandro, Corozzi; Peter, Fristrup; Kaushik L., Joshi; Yun Kyung, Shin; Peter, Oelschlaeger; Adri C. T., van Duin; Barone, Vincenzo
Exploring the frontiers of synthetic eumelanin polymers by high-resolution matrix-assisted laser/desorption ionization mass spectrometry
2012 Reale, S.; Crucianelli, M.; Pezzella, A.; D'Ischia, M.; De Angelis, F
Exploring the Maze of C2N2H5 Radicals and Their Fragments in the Interstellar Medium with the Help of Quantum-Chemical Computations
2020 Salta, Zoi; Tasinato, Nicola; Lupi, Jacopo; Boussessi, Rahma; Balbi, Alice; Puzzarini, Cristina; Barone, Vincenzo
Exploring the maze of cycloserine conformers in the gas phase guided by microwave spectroscopy and quantum chemistry
2021 Alonso, E. R.; Fuse', M.; Leon, I.; Puzzarini, C.; Alonso, J. L.; Barone, V.
The extended CC2 model ECC2
2013 Myhre, Rolf Heilemann; Sánches De Merás, Alfredo M. J.; Koch, Henrik
Extending the Applicability of the Semi-experimental Approach by Means of "template Molecule" and "linear Regression" Models on Top of DFT Computations
2021 Melli, A.; Tonolo, F.; Barone, V.; Puzzarini, C.
Extending the molecular size in accurate quantum-chemical calculations: The equilibrium structure and spectroscopic properties of uracil
2011 C., Puzzarini; Barone, Vincenzo
Extending the perturbed matrix method beyond the dipolar approximation: comparison of different levels of theory
2018 Zanetti-Polzi, Laura; Del Galdo, Sara; Daidone, Isabella; D'Abramo, Marco; Barone, Vincenzo; Aschi, Massimiliano; Amadei, Andrea
Extending the Range of Computational Spectroscopy by QM/MM Approaches: Time-Dependent and Time-Independent Routes
2010 Barone, Vincenzo; Biczysko, M; Brancato, Giuseppe
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