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Mostrati risultati da 1 a 20 di 85
Titolo Data di pubblicazione Autore(i) File
Ab Initio Theoretical Investigation on the Reactivity as Bases of Mixed LiMe/KOMe Complexes. A Model for Schlosser’s LICKOR Superbase 1996 Giovanni Ghigo; Glauco Tonachini; Paolo Venturello
Ab initio theoretical investigation on the reactivity as bases of mixed LiMe/KOMe complexes. A model for Schlosser LICKOR superbase 1996 G. GHIGO; TONACHINI G; VENTURELLO P
Ab initio theoretical study of the reactivity as bases or nucleophiles of potassium and lithium methides 1997 G. GHIGO; TONACHINI G; FOSSEY J
Ab initio theoretical study of metallo-dehydrogenation and nucleophilic addition reactions of methyllithium and methylpotassium with crotonaldehyde dimethylacetal 1997 FOSSEY J; G. GHIGO; TONACHINI G; VENTURELLO P
Benzene Oxidation in the Troposphere. A Theoretical Investigation on the Possible Competition of Three Postulated Reaction Channels 1998 G. GHIGO; G. TONACHINI
Density Functional, Single and Multi-Reference Perturbation Theory Study of the Reaction 3Sg O2 + HOCH2CH2. ¨ HOO. + HOCH=CH2, Modeling an Important Step in Tropospheric Benzene Oxidation 1999 G. GHIGO; G. TONACHINI
From Benzene to Muconaldehyde: Theoretical Mechanistic Investigation on Some Tropospheric Oxidation Channels 1999 G. GHIGO; G. TONACHINI
Diradical and peroxirane pathways in the [Π2+Π2] cycloaddition reactions of 1Δg dioxygen with ethene, methyl vinyl ether, and butadiene: A Density Functional and Multi-Reference Perturbation Theory study 2000 MARANZANA A; G. GHIGO; TONACHINI G
Oxidative degradation of benzene in the troposphere. Theoretical mechanistic study of the formation of unsaturated dialdehydes and dialdehyde epoxides 2002 MOTTA F; GHIGO G; TONACHINI G
Tropospheric Benzene Degradation. Theoretical Mechanistic Study of Some Oxidation Channels. 2002 G. GHIGO; F. MOTTA; G. TONACHINI
The 1Dg dioxygen ene reaction with propene. Density Functional and Multireference Perturbation Theory Mechanistic Study 2003 A. MARANZANA; G. GHIGO; G. TONACHINI
Combustion and atmospheric oxidation of hydrocarbons: Theoretical study of the methyl peroxyl self-reaction 2003 G. GHIGO; A. MARANZANA; G. TONACHINI
Methyl and silyl mesolytic dissociations in the radical cations and radical anions of but-1-ene, allylsilane, hexa-1,3-diene, and penta-2,4-dienylsilane. CAS-MCSCF and Coupled Cluster theoretical study 2003 C. CARRA; G. GHIGO; G. TONACHINI
The Mechanistic Significance of Perepoxide Trapping Experiments, with Epoxide Detection, in 1Dg Dioxygen Reactions with Alkenes 2003 MARANZANA A; G. GHIGO; TONACHINI G
A theoretical study of the excited states of CrH: Potential energies, transition moments, and lifetimes 2004 GHIGO G; ROOS B. O; STANCIL P. C; WECK P. F
A modified definition of the zeroth order Hamiltonian in multiconfigurational perturbation theory (CASPT2) 2004 GHIGO G; ROOS B. O; MALMQVIST P.-
Modeling soot and its functionalization under atmospheric or combustion conditions by Density Functional Theory within molecular (polycyclic-aromatic-hydrocarbon-like) and periodic methodologies 2004 GHIGO G; MARANZANA A; TONACHINI G; ZICOVICH-WILSON M; CAUSÀ M
The electronic spectrum of 2-(2'-hydroxybenzoyl)pyrrole and 2-(2'-methoxybenzoyl)pyrrole: a theoretical study 2005 GHIGO G; CIOFALO M; GAGLIARDI L; LA MANNA G; CRAMER C. J
Theoretical study on the reactivity and regioselectivity of the ene reaction of 1Δg O2 with α,β-unsaturated carbonyl compounds 2005 MARANZANA A; CANEPA C; GHIGO G; TONACHINI G
Aromatic Hydrocarbon Nitration under Tropospheric and Combustion Conditions. A Theoretical Mechanistic Study 2006 GHIGO G; CAUSA' M; MARANZANA A; TONACHINI G
Mostrati risultati da 1 a 20 di 85
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