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PHOTOELECTRON-SPECTROSCOPY OF F ELEMENT ORGANOMETALLIC COMPLEXES.11. AN INVESTIGATION OF THE ELECTRONIC-STRUCTURE OF SOME TRIS(ETA(5)-CYCLOPENTADIENYL)THORIUM(IV) AND TRIS(ETA(5)-CYCLOPENTADIENYL)URANIUM(IV) COMPLEXES BY RELATIVISTIC EFFECTIVE CORE POTENTIAL AB-INITIO CALCULATIONS AND GAS-PHASE UV PHOTOELECTRON-SPECTROSCOPY 1-gen-1993 DI BELLA, Santo; Gulino, Antonino; Lanza, Giuseppe; Fragala, Il; Marks, Tj file da validare
GEOMETRIES AND ENERGIES OF SMALL GEN (N = 2-6) CLUSTERS - AN AB-INITIO MOLECULAR-ORBITAL STUDY 1-gen-1993 Lanza, Giuseppe; Millefiori, S; Millefiori, A; Dupuis, M.
EQUILIBRIUM GEOMETRIES AND HARMONIC VIBRATIONAL FREQUENCIES OF LANTHANUM TRIHALIDES LAX3 (X=F, CL) - A RELATIVISTIC EFFECTIVE CORE POTENTIAL AB-INITIO MO STUDY 1-gen-1993 DI BELLA, Santo; Lanza, Giuseppe; Fragala, Il file da validare
PHOTOELECTRON-SPECTROSCOPY OF F-ELEMENT ORGANOMETALLIC COMPLEXES .10. INVESTIGATION OF THE ELECTRONIC-STRUCTURE AND GEOMETRY OF BIS(ETA-PENTAMETHYLCYCLOPENTADIENYL)PHOSPHATHORACYCLOBUTANE BY RELATIVISTIC AB-INITIO, MULTIPOLAR DV-X-ALPHA CALCULATIONS AND GAS-PHASE UV PHOTOELECTRON-SPECTROSCOPY 1-gen-1993 DI BELLA, Santo; Gulino, Antonino; Lanza, Giuseppe; Fragala, Il; Marks, Tj file da validare
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 1-gen-1994 DI BELLA, Santo; Gulino, Antonino; Lanza, Giuseppe; Fragala, I; Stern, D; Marks, Tj file da validare
AN EFFECTIVE CORE POTENTIAL AB-INITIO STUDY OF ELECTRONIC-STRUCTURE AND BANDWIDTH-CHARGE TRANSPORT RELATIONSHIPS IN LOW-DIMENSIONAL, PARTIALLY OXIDIZED PALLADIUM GLYOXIMATES 1-gen-1995 DI BELLA, Santo; Lanza, Giuseppe; Fragala, I; Marks, Tj; Ratner, Ma file da validare
AB-INITIO MO STUDY OF THE MOLECULAR-STRUCTURE, VIBRATIONAL FREQUENCIES AND BOND-DISSOCIATION ENERGY OF BIS(2,4-PENTANEDIONATO-O,O')OXOVANADIUM(IV) 1-gen-1995 DI BELLA, Santo; Lanza, Giuseppe; Fragala, Il file da validare
Electronic structure of bis(2,4-pentanedionato-O,O')oxovanadium(IV). A photoelectron spectroscopy, electronic spectroscopy, and ab initio molecular orbital study 1-gen-1996 DI BELLA, Santo; Lanza, Giuseppe; Gulino, Antonino; Fragala, I. file da validare
A relativistic effective core potential ab initio study of molecular geometries and vibrational frequencies of lanthanide trihalides LnX(3) (Ln=Gd, Lu; X=F, Cl) 1-gen-1996 Lanza, Giuseppe; Fragala, Il
Electronic structure, molecular geometry, and bonding energetics in zerovalent yttrium and gadolinium bis(arene) sandwich complexes. A theoretical ab initio study 1-gen-1996 DI BELLA, Santo; Lanza, Giuseppe; Fragala, Il; Marks, Tj file da validare
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 1-gen-1996 King, Wa; DI BELLA, Santo; Lanza, Giuseppe; Khan, K; Duncalf, Dj; Cloke, Fgn; Fragala, Il; Marks, Tj file da validare
Electronic structure and photoelectron spectroscopy of the monomeric uranium(III) alkyl [eta(5)-(CH3)(5)C-5]2UCH[Si(CH3)(3)](2) .13. Photoelectron spectroscopy of f-element organometallic complexes. 1-gen-1996 DI BELLA, Santo; Lanza, Giuseppe; Fragala, Il; Marks, Tj file da validare
Electronic structures and geometries of six-co-ordinate bis(tropolonate)tin hydrocarbyl and chloride complexes. A combined theoretical ab initio and gas-phase photoelectron spectroscopy study 1-gen-1997 Bruno, G; Lanza, Giuseppe; Malandrino, Graziella; Fragala, I. file da validare
Growth of epitaxial TlBaCaCuO a-axis oriented films on LaAlO3 buffer layers grown on SrTiO3 (100) substrates 1-gen-1997 Malandrino, Graziella; Frassica, A; Condorelli, Guglielmo Guido; Lanza, Giuseppe; Fragala, Il file da validare
Charge distribution and second-order nonlinear optical response of charged centrosymmetric chromophore aggregates. An ab initio electronic structure study of p-nitroaniline dimers 1-gen-1997 DI BELLA, Santo; Lanza, Giuseppe; Fragala, I; Yitzchaik, S; Ratner, Ma; Marks, Tj file da validare
Effect of Ba-Ca-Cu precursor matrix on the formation and properties of superconducting Tl2Ba2Can-1CunOx films - A combined metalorganic chemical vapour deposition and thallium vapour diffusion approach 1-gen-1997 Malandrino, Graziella; Condorelli, Guglielmo Guido; Lanza, Giuseppe; Fragala, Il; Diuccio, Us; Valentino, M. file da validare
Energetics of metal-ligand multiple bonds. A combined solution thermochemical and ab initio quantum chemical study of M=O bonding in group 6 metallocene oxo complexes 1-gen-1998 Luo, L; Lanza, Giuseppe; Fragala, Il; Stern, Cl; Marks, Tj file da validare
Highly electrophilic olefin polymerization catalysts. Counteranion and solvent effects on constrained geometry catalyst ion pair structure and reactivity 1-gen-1998 Lanza, Giuseppe; Fragala, Il; Marks, Tj file da validare
Theoretical study of the molecular properties of cerium trihalides and tetrahalides CeX(n) (n = 3, 4; X = F, Cl) 1-gen-1998 Lanza, Giuseppe; Fragala, Il
Theoretical modeling of "constrained geometry catalysts" beyond the naked cation approach 1-gen-1999 Lanza, Giuseppe; Fragala, Il
Mostrati risultati da 1 a 20 di 59
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