Lanza, Giuseppe, Fragalà, Ignazio L., Marks, Tobin J. (2001) Metal and Ancillary Ligand Structural Effects on Ethylene Insertion Processes at Cationic Group 4 Centers. A Systematic, Comparative Quantum Chemical Investigation at Various ab Initio Levels. Organometallics, 20. 4006-4017 doi:10.1021/om0102899

See Also

These are possibly similar items as determined by title/reference text matching only.

	Lanza, Giuseppe, Fragalà, Ignazio L., Marks, Tobin J. (2002) Energetic, Structural, and Dynamic Aspects of Ethylene Polymerization Mediated by Homogeneous Single-Site “Constrained Geometry Catalysts” in the Presence of Cocatalyst and Solvation:  An Investigation at the ab Initio Quantum Chemical Level. Organometallics, 21. 5594-5612 doi:10.1021/om0207764
	King, Wayne A., Di Bella, Santo, Gulino, Antonino, Lanza, Giuseppe, Fragalà, Ignazio L., Stern, Charlotte L., Marks, Tobin J. (1999) Absolute Metal−Ligand σ Bond Enthalpies in Group 4 Metallocenes. A Thermochemical, Structural, Photoelectron Spectroscopic, and ab Initio Quantum Chemical Investigation. Journal Of The American Chemical Society, 121 (2) 355-366 doi:10.1021/ja9822815
	Lanza, Giuseppe, Fragalà, Ignazio L., Marks, Tobin J. (2000) Ligand Substituent, Anion, and Solvation Effects on Ion Pair Structure, Thermodynamic Stability, and Structural Mobility in “Constrained Geometry” Olefin Polymerization Catalysts:  an Ab Initio Quantum Chemical Investigation. Journal Of The American Chemical Society, 122 (51) 12764-12777 doi:10.1021/ja000571r
	Luo, Lubin, Lanza, Giuseppe, Fragalà, Ignazio L., Stern, Charlotte L., Marks, Tobin J. (1998) Energetics of Metal−Ligand Multiple Bonds. A Combined Solution Thermochemical and ab Initio Quantum Chemical Study of MO Bonding in Group 6 Metallocene Oxo Complexes. Journal Of The American Chemical Society, 120 (13) 3111-3122 doi:10.1021/ja971010b
	Di Bella, Santo, Lanza, Giuseppe, Fragalà, Ignazio L., Marks, Tobin J. (1996) Electronic Structure, Molecular Geometry, and Bonding Energetics in Zerovalent Yttrium and Gadolinium Bis(arene) Sandwich Complexes. A Theoretical ab Initio Study†. Organometallics, 15. 3985-3989 doi:10.1021/om960021v
	King, Wayne A., Di Bella, Santo, Lanza, Giuseppe, Khan, Karl, Duncalf, David J., Cloke, F. Geoffrey N., Fragala, Ignazio L., Marks, Tobin J. (1996) Metal−Ligand Bonding and Bonding Energetics in Zerovalent Lanthanide, Group 3, Group 4, and Group 6 Bis(arene) Sandwich Complexes. A Combined Solution Thermochemical and ab Initio Quantum Chemical Investigation. Journal Of The American Chemical Society, 118 (3) 627-635 doi:10.1021/ja9529697
	Motta, Alessandro, Lanza, Giuseppe, Fragalà, Ignazio L., Marks, Tobin J. (2004) Energetics and Mechanism of Organolanthanide-Mediated Aminoalkene Hydroamination/Cyclization. A Density Functional Theory Analysis. Organometallics, 23. 4097-4104 doi:10.1021/om049666i
	Lanza, Giuseppe, Fragalà, Ignazio L., Marks, Tobin J. (1998) Highly Electrophilic Olefin Polymerization Catalysts. Counteranion and Solvent Effects on Constrained Geometry Catalyst Ion Pair Structure and Reactivity. Journal Of The American Chemical Society, 120 (32) 8257-8258 doi:10.1021/ja980852n
	Di Bella, Santo, Lanza, Giuseppe, Fragalà, Ignazio L., Marks, Tobin J. (1996) Electronic Structure and Photoelectron Spectroscopy of the Monomeric Uranium(III) Alkyl [η5-(CH3)5C5]2UCH[Si(CH3)3]2†,‡. Organometallics, 15. 205-208 doi:10.1021/om950550j
	Di Bella, Santo, Lanza, Giuseppe, Fragalà, Ignazio, Yitzchaik, Shlomo, Ratner, Mark A., Marks, Tobin J. (1997) Charge Distribution and Second-Order Nonlinear Optical Response of Charged Centrosymmetric Chromophore Aggregates. An ab Initio Electronic Structure Study ofp-Nitroaniline Dimers. Journal Of The American Chemical Society, 119 (13) 3003-3006 doi:10.1021/ja963490x
	Di Bella, Santo, Gulino, Antonino, Lanza, Giuseppe, Fragala, Ignazio, Stern, David, Marks, Tobin J. (1994) Photoelectron Spectroscopy of f-Element Organometallic Complexes. 12. A Comparative Investigation of the Electronic Structure of Lanthanide Bis(polymethylcyclopentadienyl)hydrocarbyl Complexes by Relativistic ab Initio and DV-X.alpha. Calculations and Gas-Phase UV Photoelectron Spectroscopy. Organometallics, 13. 3810-3815 doi:10.1021/om00022a016