Lista de obras - Benedito J.C. Cabral - Dominio Público Uruguay

A First-Principles Approach to the Dynamics and Electronic Properties of p-Nitroaniline in Water.

artículo científico publicado en 2016

A Simple One-Body Approach to the Calculation of the First Electronic Absorption Band of Water

artículo científico publicado en 2009

A first principles approach to the electronic properties of liquid and supercritical CO2.

artículo científico publicado en 2015

Ab initio approach to the electronic properties of sodium-ammonia clusters: comparison with ammonia clusters

artículo científico publicado en 2010

Ab initio calculation of the electronic absorption spectrum of liquid water.

artículo científico publicado en 2014

An electrospray ionization mass spectrometry study of azidoacetic acid/transition metal complexes.

artículo científico publicado en 2017

Azidoacetone as a complexing agent of transition metals Ni2+/Co2+ promoted dissociation of the CC bond in azidoacetone

artículo científico publicado en 2011

Born-Oppenheimer molecular dynamics and electronic properties of chlorophyll-c2 in liquid methanol

article

Complexation of transition metals by 3-azidopropionitrile. An electrospray ionization mass spectrometry study

artículo científico publicado en 2006

Correction to "Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene"

artículo científico publicado en 2019

Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion

scientific article published on 01 June 2010

Dipole polarizability and Rayleigh light scattering by the hydrated electron

Dynamic polarizability, Cauchy moments, and the optical absorption spectrum of liquid water: a sequential molecular dynamics/quantum mechanical approach.

artículo científico publicado en 2009

Dynamics of endo- vs. exo- complexation and electronic absorption of calix[4]arene-Ar 2

Dynamics, magnetic properties, and electron binding energies of H2O2 in water.

artículo científico publicado en 2017

Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene

scientific article published on 28 February 2019

Electronic Properties in Supercritical Fluids

Electronic excitation of Cl- in liquid water and at the surface of a cluster: a sequential Born-Oppenheimer molecular dynamics/quantum mechanics approach.

artículo científico publicado en 2009

Electronic properties of a methane–water solution

Electronic properties of hydrogen-bonded complexes of benzene(HCN)(1-4): comparison with benzene(H2O)(1-4).

artículo científico publicado en 2011

Electronic properties of liquid ammonia: A sequential molecular dynamics/quantum mechanics approach

scientific article published on 01 January 2008

Electronic properties of liquid hydrogen fluoride: A sequential quantum mechanical/Born–Oppenheimer molecular dynamics approach

Energetics of Radical Formation in Eumelanin Building Blocks: Implications for Understanding Photoprotection Mechanisms in Eumelanin.

artículo científico publicado en 2016

Explicit solvent effects on the visible absorption spectrum of a photosynthetic pigment: Chlorophyll-c2 in methanol

scholarly article by Paula Jaramillo et al published November 2011 in Chemical Physics Letters

Exploring a near-Hartree-Fock-Kohn-Sham approach to study electronic properties of azobenzene in interaction with gold: From clusters to the Au(111) surface

scientific article published on 01 December 2020

Filipin orientation revealed by linear dichroism. Implication for a model of action.

artículo científico publicado en 2004

First-principles molecular dynamics of liquid cesium and rubidium

artículo científico publicado en 1995

Free base phthalocyanine: Influence of thermal effects and dimerization on the electronic absorption spectrum

Magnetic properties and core electron binding energies of liquid water.

artículo científico publicado en 2018

Metastability and weak mixing in classical long-range many-rotator systems

artículo científico publicado en 2002

Probing Lewis Acid-Base Interactions with Born-Oppenheimer Molecular Dynamics: The Electronic Absorption Spectrum of p-Nitroaniline in Supercritical CO2.

artículo científico publicado en 2015

Structure and electronic properties of a benzene-water solution.

artículo científico publicado en 2012

Study of doubly charged alkaline earth metal and 3-azidopropionitrile complexes by electrospray ionization mass spectrometry.

artículo científico publicado en 2008

The changing hydrogen-bond network of water from the bulk to the surface of a cluster: a born-oppenheimer molecular dynamics study

artículo científico publicado en 2008

Lista de obras de Benedito J.C. Cabral

A First-Principles Approach to the Dynamics and Electronic Properties of p-Nitroaniline in Water.

A Simple One-Body Approach to the Calculation of the First Electronic Absorption Band of Water

A first principles approach to the electronic properties of liquid and supercritical CO2.

Ab initio approach to the electronic properties of sodium-ammonia clusters: comparison with ammonia clusters

Ab initio calculation of the electronic absorption spectrum of liquid water.

An electrospray ionization mass spectrometry study of azidoacetic acid/transition metal complexes.

Azidoacetone as a complexing agent of transition metals Ni2+/Co2+ promoted dissociation of the CC bond in azidoacetone

Born-Oppenheimer molecular dynamics and electronic properties of chlorophyll-c2 in liquid methanol

Complexation of transition metals by 3-azidopropionitrile. An electrospray ionization mass spectrometry study

Correction to "Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene"

Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion

Dipole polarizability and Rayleigh light scattering by the hydrated electron

Dynamic polarizability, Cauchy moments, and the optical absorption spectrum of liquid water: a sequential molecular dynamics/quantum mechanical approach.

Dynamics of endo- vs. exo- complexation and electronic absorption of calix[4]arene-Ar 2

Dynamics, magnetic properties, and electron binding energies of H2O2 in water.

Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene

Electronic Properties in Supercritical Fluids

Electronic excitation of Cl- in liquid water and at the surface of a cluster: a sequential Born-Oppenheimer molecular dynamics/quantum mechanics approach.

Electronic properties of a methane–water solution

Electronic properties of hydrogen-bonded complexes of benzene(HCN)(1-4): comparison with benzene(H2O)(1-4).

Electronic properties of liquid ammonia: A sequential molecular dynamics/quantum mechanics approach

Electronic properties of liquid hydrogen fluoride: A sequential quantum mechanical/Born–Oppenheimer molecular dynamics approach

Energetics of Radical Formation in Eumelanin Building Blocks: Implications for Understanding Photoprotection Mechanisms in Eumelanin.

Explicit solvent effects on the visible absorption spectrum of a photosynthetic pigment: Chlorophyll-c2 in methanol

Exploring a near-Hartree-Fock-Kohn-Sham approach to study electronic properties of azobenzene in interaction with gold: From clusters to the Au(111) surface

Filipin orientation revealed by linear dichroism. Implication for a model of action.

First-principles molecular dynamics of liquid cesium and rubidium

Free base phthalocyanine: Influence of thermal effects and dimerization on the electronic absorption spectrum

Magnetic properties and core electron binding energies of liquid water.

Metastability and weak mixing in classical long-range many-rotator systems

Probing Lewis Acid-Base Interactions with Born-Oppenheimer Molecular Dynamics: The Electronic Absorption Spectrum of p-Nitroaniline in Supercritical CO2.

Structure and electronic properties of a benzene-water solution.

Study of doubly charged alkaline earth metal and 3-azidopropionitrile complexes by electrospray ionization mass spectrometry.

The changing hydrogen-bond network of water from the bulk to the surface of a cluster: a born-oppenheimer molecular dynamics study