Mechanism of ruthenium-catalyzed olefin metathesis reactions from a theoretical perspectiveCAVALLO, Luigi.Journal of the American Chemical Society. 2002, Vol 124, Num 30, pp 8965-8973, issn 0002-7863Article

Origin of enantioselectivity in the asymmetric Ru-catalyzed metathesis of olefinsCOSTABILE, Chiara; CAVALLO, Luigi.Journal of the American Chemical Society. 2004, Vol 126, Num 31, pp 9592-9600, issn 0002-7863, 9 p.Article

The elusive mechanism of olefin metathesis promoted by (NHC)Ru-based catalysts : A trade between steric, electronic, and solvent effectsCORREA, Andrea; CAVALLO, Luigi.Journal of the American Chemical Society. 2006, Vol 128, Num 41, pp 13352-13353, issn 0002-7863, 2 p.Article

On the Accuracy of DFT Methods in Reproducing Ligand Substitution Energies for Transition Metal Complexes in Solution: The Role of Dispersive InteractionsJACOBSEN, Heiko; CAVALLO, Luigi.ChemPhysChem (Print). 2012, Vol 13, Num 2, pp 562-569, issn 1439-4235, 8 p.Article

Mechanism of Stereocontrol in Methyl Methacrylate Polymerization Promoted by C₁-Symmetric MetallocenesCAPORASO, Lucia; CAVALLO, Luigi.Macromolecules. 2008, Vol 41, Num 10, pp 3439-3445, issn 0024-9297, 7 p.Article

Dynamic properties of metallocenium ion pairs in solution by atomistic simulationsCORREA, Andrea; CAVALLO, Luigi.Journal of the American Chemical Society. 2006, Vol 128, Num 33, pp 10952-10959, issn 0002-7863, 8 p.Article

Re-evaluation of the Mn(salen) mediated epoxidation of alkenes by means of the B3LYP* density functionalJACOBSEN, Heiko; CAVALLO, Luigi.PCCP. Physical chemistry chemical physics (Print). 2004, Vol 6, Num 13, pp 3747-3753, issn 1463-9076, 7 p.Article

Electronic effects in (salen)Mn-based epoxidation catalystsCAVALLO, Luigi; JACOBSEN, Heiko.Journal of organic chemistry. 2003, Vol 68, Num 16, pp 6202-6207, issn 0022-3263, 6 p.Article

How Well Can DFT Reproduce Key Interactions in Ziegler―Natta Systems?CORREA, Andrea; BAHRI-LALEH, Naeimeh; CAVALLO, Luigi et al.Macromolecular chemistry and physics (Print). 2013, Vol 214, Num 17, pp 1980-1989, issn 1022-1352, 10 p.Article

Surgical Limits in Transnasal Approach to Opticocarotid Region and Planum Sphenoidale: an Anatomic Cadaveric StudyCAVALLO, Luigi M; ESPOSITO, Felice; CAPPABIANCA, Paolo et al.World neurosurgery (Print). 2010, Vol 73, Num 4, pp 301-303, issn 1878-8750, 3 p.Article

Site chirality as a messenger in chain-end stereocontrolled propene polymerizationMILANO, Giuseppe; CAVALLO, Luigi; GUERRA, Gaetano et al.Journal of the American Chemical Society. 2002, Vol 124, Num 45, pp 13368-13369, issn 0002-7863, 2 p.Article

Molecular modeling of stereo- and regioselectivity of group 4 heterocenes in the polymerization of propeneGUERRA, Gaetano; CORRADINI, Paolo; CAVALLO, Luigi et al.Macromolecules. 2005, Vol 38, Num 9, pp 3973-3976, issn 0024-9297, 4 p.Article

Origin of the regiochemistry of propene insertion at octahedral column 4 polymerization catalysts: Design or serendipity?TALARICO, Giovanni; BUSICO, Vincenzo; CAVALLO, Luigi et al.Journal of the American Chemical Society. 2003, Vol 125, Num 24, pp 7172-7173, issn 0002-7863, 2 p.Article

Stereoselectivity and chemoselectivity in Ziegler-Natta polymerizations of conjugated dienes. 1. Monomers with low-energy s-cis η⁴ coordinationCOSTABILE, Chiara; MILANO, Giuseppe; CAVALLO, Luigi et al.Macromolecules. 2001, Vol 34, Num 23, pp 7952-7960, issn 0024-9297Article

Stereospecificity in metallocene catalyzed acrylate polymerizations : The chiral orientation of the growing chain selects its own chain end enantiofaceCAPORASO, Lucia; GRACIA-BUDRIA, Josè; CAVALLO, Luigi et al.Journal of the American Chemical Society. 2006, Vol 128, Num 51, pp 16649-16654, issn 0002-7863, 6 p.Article

Ab initio and molecular mechanics study of conformational selectivity of chlorinated compounds adsorbed in the clathrate phase of syndiotactic polystyrene. the role of electrostatic host-guest interactionsMILANO, Giuseppe; GUERRA, Gaetano; CAVALLO, Luigi et al.Macromolecular theory and simulations. 2001, Vol 10, Num 4, pp 349-354, issn 1022-1344Article

Key Elements in the Structure and Function Relationship of the MgCl₂/TiCl₄/Lewis Base Ziegler-Natta Catalytic SystemCORREA, Andrea; PIEMONTESI, Fabrizio; MORINI, Giampiero et al.Macromolecules. 2007, Vol 40, Num 25, pp 9181-9189, issn 0024-9297, 9 p.Article

A possible unified mechanism of Like and Unlike chain-end stereocontrol for primary propene-coordinated polymerizationsMILANO, Giuseppe; FIORELLO, Giuseppe; GUERRA, Gaetano et al.Macromolecular chemistry and physics (Print). 2002, Vol 203, Num 10-11, pp 1564-1572, issn 1022-1352Article

A molecular model for H₂ interactions in aliphatic and aromatic hydrocarbonsFIGUEROA-GERSTENMAIER, Susana; GIUDICE, Simona; CAVALLO, Luigi et al.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 20, pp 3935-3942, issn 1463-9076, 8 p.Article

Geometry and stability of titanium chloride species adsorbed on the (100) and (110) cuts of the MgCl₂ support of the heterogeneous Ziegler-Natta catalystsMONACO, Guglielmo; TOTO, Massimiliano; GUERRA, Gaetano et al.Macromolecules. 2000, Vol 33, Num 24, pp 8953-8962, issn 0024-9297Article

COCOMAPS: a web application to analyze and visualize contacts at the interface of biomolecular complexesVANGONE, Anna; SPINELLI, Raffaele; SCARANO, Vittorio et al.Bioinformatics (Oxford. Print). 2011, Vol 27, Num 20, pp 2915-2916, issn 1367-4803, 2 p.Article

Surgical complications associated with the endoscopic endonasal transsphenoidal approach for pituitary adenomasCAPPABIANCA, Paolo; CAVALLO, Luigi Maria; COLAO, Annamaria et al.Journal of neurosurgery. 2002, Vol 97, Num 2, pp 293-298, issn 0022-3085Article

(E)-(Z) selectivity in the polymerization of 2-butene promoted by Ni(II) brookhart-type catalystsMILANO, Giuseppe; GUERRA, Gaetano; MAZZEO, Mina et al.Macromolecules. 2005, Vol 38, Num 6, pp 2072-2075, issn 0024-9297, 4 p.Article

A theoretical study of syndiospecific styrene polymerization with Cp-based and Cp-free titanium catalysts. 2. Mechanism of chain-end stereocontrolMINIERI, Gianluca; CORRADINI, Paolo; GUERRA, Gaetano et al.Macromolecules. 2001, Vol 34, Num 16, pp 5379-5385, issn 0024-9297Article

The legacy of Pompeii and its volcanoDE DIVITIIS, Enrico; CAPPABIANCA, Paolo; ESPOSITO, Felice et al.Neurosurgery. 2004, Vol 55, Num 4, pp 989-1006, issn 0148-396X, 18 p.Article