Lista de obras - Michael B. Sullivan - Dominio Público Uruguay

A HREELS and DFT study of the adsorption of aromatic hydrocarbons on diamond (111).

artículo científico publicado en 2010

Adsorbed Conformations of PCE Superplasticizers in Cement Pore Solution Unraveled by Molecular Dynamics Simulations.

artículo científico publicado en 2017

Electronic excitation of [(μ4-η2-alkyne)Rh4(CO)8(μ-CO)2]: an in situ UV/Vis spectroscopy, spectral reconstruction and DFT study.

artículo científico publicado en 2012

Empirical and Computational Insights into N-Arylation Reactions Catalyzed by Palladium meta-Terarylphosphine Catalyst

scientific article published on 28 April 2017

First-principles study of silicon nanowire approaching the bulk limit

artículo científico publicado en 2011

Heats of Formation of Alkali Metal and Alkaline Earth Metal Oxides and Hydroxides: Surprisingly Demanding Targets for High-Level ab Initio Procedures

Lithium monoxide anion: a ground-state triplet with the strongest base to date.

artículo científico publicado en 2008

Multi Band Gap Electronic Structure in CHNHPbI

artículo científico publicado en 2019

O,O'-Disubstituted N,N'-dihydroxynaphthalenediimides (DHNDI): first principles designed organic building blocks for materials science

artículo científico publicado en 2011

One-dimensional iron-cyclopentadienyl sandwich molecular wire with half metallic, negative differential resistance and high-spin filter efficiency properties.

artículo científico publicado en 2008

Oxidization states of metal atoms in linear bimetallic multi-sandwich molecules V(n)(FeCp2)(n+1) and magnetic moment enhancement mechanism of its 1D wire.

artículo científico publicado en 2010

Photophysical properties of acetylene-linked syn bimane oligomers: a molecular photonic wire.

artículo científico publicado en 2017

Quantum Chemical Analysis of Heteroarylnitrenium Ions and Mechanisms for Their Self-Destruction

artículo científico publicado en 2000

Quantum Chemical Analysis ofpara-Substitution Effects on the Electronic Structure of Phenylnitrenium Ions in the Gas Phase and Aqueous Solution

artículo científico publicado en 1998

Site specificity of halogen bonding involving aromatic acceptors

artículo científico publicado en 2018

Structures and Thermochemistry of Calcium-Containing Molecules

artículo científico publicado en 2005

Structures and thermochemistry of the alkali metal monoxide anions, monoxide radicals, and hydroxides

artículo científico publicado en 2009

Structures of Reactive Nitrenium Ions: Time-Resolved Infrared Laser Flash Photolysis and Computational Studies of SubstitutedN-Methyl-N-arylnitrenium Ions

artículo científico publicado en 2000

Study of Pd-Au bimetallic catalysts for CO oxidation reaction by DFT calculations

artículo científico publicado en 2009

Thiophene-containing Pechmann dye derivatives

artículo científico publicado en 2010

Transparent conducting properties of SrSnO3 and ZnSnO3

Using non-empirically tuned range-separated functionals with simulated emission bands to model fluorescence lifetimes.

artículo científico publicado en 2017

meta andpara substitution effects on the electronic state energies and ring-expansion reactivities of phenylnitrenes

article

Lista de obras de Michael B. Sullivan

A HREELS and DFT study of the adsorption of aromatic hydrocarbons on diamond (111).

Adsorbed Conformations of PCE Superplasticizers in Cement Pore Solution Unraveled by Molecular Dynamics Simulations.

Electronic excitation of [(μ4-η2-alkyne)Rh4(CO)8(μ-CO)2]: an in situ UV/Vis spectroscopy, spectral reconstruction and DFT study.

Empirical and Computational Insights into N-Arylation Reactions Catalyzed by Palladium meta-Terarylphosphine Catalyst

First-principles study of silicon nanowire approaching the bulk limit

Heats of Formation of Alkali Metal and Alkaline Earth Metal Oxides and Hydroxides: Surprisingly Demanding Targets for High-Level ab Initio Procedures

Lithium monoxide anion: a ground-state triplet with the strongest base to date.

Multi Band Gap Electronic Structure in CHNHPbI

O,O'-Disubstituted N,N'-dihydroxynaphthalenediimides (DHNDI): first principles designed organic building blocks for materials science

One-dimensional iron-cyclopentadienyl sandwich molecular wire with half metallic, negative differential resistance and high-spin filter efficiency properties.

Oxidization states of metal atoms in linear bimetallic multi-sandwich molecules V(n)(FeCp2)(n+1) and magnetic moment enhancement mechanism of its 1D wire.

Photophysical properties of acetylene-linked syn bimane oligomers: a molecular photonic wire.

Quantum Chemical Analysis of Heteroarylnitrenium Ions and Mechanisms for Their Self-Destruction

Quantum Chemical Analysis ofpara-Substitution Effects on the Electronic Structure of Phenylnitrenium Ions in the Gas Phase and Aqueous Solution

Site specificity of halogen bonding involving aromatic acceptors

Structures and Thermochemistry of Calcium-Containing Molecules

Structures and thermochemistry of the alkali metal monoxide anions, monoxide radicals, and hydroxides

Structures of Reactive Nitrenium Ions: Time-Resolved Infrared Laser Flash Photolysis and Computational Studies of SubstitutedN-Methyl-N-arylnitrenium Ions

Study of Pd-Au bimetallic catalysts for CO oxidation reaction by DFT calculations

Thiophene-containing Pechmann dye derivatives

Transparent conducting properties of SrSnO3 and ZnSnO3

Using non-empirically tuned range-separated functionals with simulated emission bands to model fluorescence lifetimes.

meta andpara substitution effects on the electronic state energies and ring-expansion reactivities of phenylnitrenes