Lista de obras - Antonio Rizzo - Dominio Público Uruguay

A Combined Experimental-Computational Investigation to Uncover the Puzzling (Chiro-)optical Response of Pyridocyclophanes: One- and Two-Photon Spectra.

artículo científico publicado en 2015

A QM/MM and QM/QM/MM study of Kerr, Cotton-Mouton and Jones linear birefringences in liquid acetonitrile.

artículo científico publicado en 2018

A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion.

artículo científico publicado en 2016

A computational protocol for the study of circularly polarized phosphorescence and circular dichroism in spin-forbidden absorption.

artículo científico publicado en 2015

A computational study of some electric and magnetic properties of gaseous BF3 and BCl3

scientific article published on 01 September 2005

A density functional theory study of magneto-electric Jones birefringence of noble gases, furan homologues, and mono-substituted benzenes

artículo científico publicado en 2013

Ab initio calculation of the refractivity and hyperpolarizability second virial coefficients of neon gas

Ab initio study of excited state electronic circular dichroism. Two prototype cases: methyl oxirane and R-(+)-1,1'-bi(2-naphthol)

artículo científico publicado en 2011

Ab initio study of interaction-induced NMR shielding constants in mixed rare gas dimers

scientific article published on 01 February 2007

Ab initio study of the circular intensity difference in electric-field-induced second harmonic generation of chiral natural amino acids

artículo científico publicado en 2013

Ab initio study of the enantio-selective magnetic-field-induced second harmonic generation in chiral molecules

artículo científico publicado en 2015

Ab initio study of the magneto-optical rotation of diastereoisomers

artículo científico publicado en 2008

Ab initio study of the one- and two-photon circular dichroism of R-(+)-3-methyl-cyclopentanone

artículo científico publicado en 2008

Ab initio study of the two-photon circular dichroism in chiral natural amino acids

artículo científico publicado en 2007

An ab initio investigation of the Buckingham birefringence of furan, thiophene, and selenophene in cyclohexane solution

artículo científico publicado en 2007

Analysis of the Electronic Circular Dichroism Spectrum of (−)-[9](2,5)Pyridinophane

artículo científico publicado en 2012

Analytic calculations of nonlinear mixed electric and magnetic frequency-dependent molecular properties using London atomic orbitals: Buckingham birefringence

artículo científico publicado en 2008

Analytical calculations of frequency-dependent hypermagnetizabilities and Cotton–Mouton constants using London atomic orbitals

artículo científico publicado en 2008

Cavity field effects within a polarizable continuum model of solvation: Application to the calculation of electronic circular dichroism spectra of R-(+)-3-methyl-cyclopentanone

article

Combined density functional/polarizable continuum model study of magnetochiral birefringence: can theory and experiment be brought to agreement?

artículo científico publicado en 2006

Communication: nuclear quadrupole moment-induced Cotton-Mouton effect in noble gas atoms

artículo científico publicado en 2013

Computational Challenges in Simulating and Analyzing Experimental Linear and Nonlinear Circular Dichroism Spectra.R-(+)-1,1′-Bis(2-naphthol) as a Prototype Case

artículo científico publicado en 2011

Computational study of the one- and two-photon absorption and circular dichroism of (L)-tryptophan

artículo científico publicado en 2010

Conformational Effects on the Optical Rotation of Alanine and Proline

Cotton-Mouton effect and shielding polarizabilities of ethylene: An MCSCF study

article published in 1997

Coupled cluster calculations of the ground state potential and interaction induced electric properties of the mixed dimers of helium, neon and argon

Coupled cluster investigation of the electric-field-gradient-induced birefringence of H2, N2, C2H2, and CH4

Damped response theory description of two-photon absorption

artículo científico publicado en 2011

Density dependence of electric properties of binary mixtures of inert gases

Density-functional and electron correlated study of five linear birefringences--Kerr, Cotton-Mouton, Buckingham, Jones, and magnetoelectric--in gaseous benzene

artículo científico publicado en 2004

Density-functional theory study of electric and magnetic properties of hexafluorobenzene in the vapor phase

artículo científico publicado en 2005

Differences in Two-Photon and One-Photon Absorption Profiles Induced by Vibronic Coupling: The Case of Dioxaborine Heterocyclic Dye

scientific article published on 27 September 2011

Electric field dependence of magnetic properties: Multiconfigurational self‐consistent field calculations of hypermagnetizabilities and nuclear shielding polarizabilities of N2, C2H2, HCN, and H2O

Electric field effects on the shielding constants of noble gases: A four-component relativistic Hartree-Fock study

scientific article published on 01 August 2004

Electric field gradient, generalized Sternheimer shieldings and electric field gradient polarizabilities by multiconfigurational SCF response

Erratum: “Density-functional and electron correlated study of five linear birefringences—Kerr, Cotton–Mouton, Buckingham, Jones and magnetoelectric—in gaseous benzene” [J. Chem. Phys. 121, 8814 (2004)]; “Density-functional study of electr

scholarly article published in Journal of Chemical Physics

Four-component Hartree-Fock calculations of magnetic-field induced circular birefringence--Faraday effect--in noble gases and dihalogens

scientific article published on 01 February 2005

Jones and magnetoelectric birefringence of pure substances — A computational study

MCSCF calculations of Verdet constants

article published in 1994

MCSCF calculations of hypermagnetizabilities and nuclear shielding polarizabilities of CO and CH4

MCSCF nuclear magnetic shieldings and spin-rotation constants of 17O in 16O17O16O and 17O16O16O

Molecularly Imprinted Nanoparticles towards MMP9 for Controlling Cardiac ECM after Myocardial Infarction: A Predictive Experimental-Computational Chemistry Investigation

Nonlinear effects in the interaction of time-dependent fields and chiral systems: A computational investigation

artículo científico publicado en 2006

Nuclear spin circular dichroism

artículo científico publicado en 2014

On the molecular electric quadrupole moment and the electric-field-gradient-induced birefringence of CO2 and CS2

On the origin of the very strong two-photon activity of squaraine dyes--a standard/damped response theory study.

artículo científico publicado en 2014

Origin invariant approaches to the calculation of two-photon circular dichroism

artículo científico publicado en 2006

Origin-independent two-photon circular dichroism calculations in coupled cluster theory

artículo científico publicado en 2016

Predicting the Helical Sense of Poly(phenylacetylene)s from their Electron Circular Dichroism Spectra.

artículo científico publicado en 2018

Quantum Mechanical Polarizable Continuum Model Approach to the Kerr Effect of Pure Liquids

artículo científico publicado en 2005

Relativistic effects on Sternheimer shieldings and the polarizabilities of the electric-field gradient at the nucleus: HX (X=F,Cl,Br,I,At) and Br2

Relativistic four-component calculations of Buckingham birefringence using London atomic orbitals

Solvent effects on the conformational distribution and optical rotation of gamma-methyl paraconic acids and esters.

artículo científico publicado en 2006

Solvent effects on the three-photon absorption of a symmetric charge-transfer molecule

artículo científico publicado en 2008

Sternheimer shieldings and EFG polarizabilities: a density-functional theory study

Strong Two-Photon Circular Dichroism in Helicenes: A Theoretical Investigation

scientific article published on 01 March 2008

The CO–Ne van der Waals complex: ab initio intermolecular potential energy, interaction induced electric dipole moment and polarizability surfaces, and second virial coefficients

scientific article published on 20 August 2009

The Cotton-Mouton effect of liquid water. Part I: The dielectric continuum model

The Cotton-Mouton effect of neon and argon: a benchmark study using highly correlated coupled cluster wave functions

artículo científico publicado en 2004

The Cotton–Mouton effect of furan and its homologues in the gas phase, for the pure liquids and in solution

article published in 2003

The Cotton–Mouton effect of gaseous CO2, N2O, OCS, and CS2. A cubic response multiconfigurational self-consistent field study

The Cotton–Mouton effect of gaseous N2, CO, CO2, N2O, OCS and CS2: a density functional approach to high-order mixed electric and magnetic properties

article published in 2001

The Cotton–Mouton effect of liquid water. Part II: The semi-continuum model

The Effect of the π-Electron Delocalization Curvature on the Two-Photon Circular Dichroism of Molecules with Axial Chirality

scientific article published on 22 June 2012

The magnetic hyperpolarizability anisotropy of the neon atom

scholarly article by Michał Jaszuński et al published April 1992 in Chemical Physics Letters

The magnetizability, rotationalgtensor and quadrupole moment of the boron trihalides

The nuclear-spin-rotation constants of HCY, HSiY, and SiY2 (Y=F, Cl): An ab initio study

artículo científico publicado en 2006

Theoretical pressure and dielectric second virial coefficients of CO-Ar

Theory for vibrationally resolved two-photon circular dichroism spectra. Application to (R)-(+)-3-methylcyclopentanone

artículo científico publicado en 2009

Two-photon absorption and two-photon circular dichroism of hexahelicene derivatives: a study of the effect of the nature of intramolecular charge transfer

scholarly article in RSC Advances, vol. 5 no. 23, 2015

Two-photon absorption circular dichroism: a new twist in nonlinear spectroscopy

artículo científico publicado en 2010

Two-photon absorption circular-linear dichroism on axial enantiomers

artículo científico publicado en 2010

Two-photon circular dichroism of an axially dissymmetric diphosphine ligand with strong intramolecular charge transfer

artículo científico publicado en 2014

Two-photon polarization dependent spectroscopy in chirality: a novel experimental-theoretical approach to study optically active systems.

scientific article published on 18 April 2011

Vibronic Coupling Dominates the Electronic Circular Dichroism of the Benzene Chromophore 1Lb band

artículo científico publicado en 2013

Vibronic induced one- and two-photon absorption in a charge-transfer stilbene derivate

scientific article published on 01 June 2007

Vibronically resolved electronic circular dichroism spectra of (R)-(+)-3-methylcyclopentanone: a theoretical study

artículo científico publicado en 2008

Lista de obras de Antonio Rizzo

A Combined Experimental-Computational Investigation to Uncover the Puzzling (Chiro-)optical Response of Pyridocyclophanes: One- and Two-Photon Spectra.

A QM/MM and QM/QM/MM study of Kerr, Cotton-Mouton and Jones linear birefringences in liquid acetonitrile.

A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion.

A computational protocol for the study of circularly polarized phosphorescence and circular dichroism in spin-forbidden absorption.

A computational study of some electric and magnetic properties of gaseous BF3 and BCl3

A density functional theory study of magneto-electric Jones birefringence of noble gases, furan homologues, and mono-substituted benzenes

Ab initio calculation of the refractivity and hyperpolarizability second virial coefficients of neon gas

Ab initio study of excited state electronic circular dichroism. Two prototype cases: methyl oxirane and R-(+)-1,1'-bi(2-naphthol)

Ab initio study of interaction-induced NMR shielding constants in mixed rare gas dimers

Ab initio study of the circular intensity difference in electric-field-induced second harmonic generation of chiral natural amino acids

Ab initio study of the enantio-selective magnetic-field-induced second harmonic generation in chiral molecules

Ab initio study of the magneto-optical rotation of diastereoisomers

Ab initio study of the one- and two-photon circular dichroism of R-(+)-3-methyl-cyclopentanone

Ab initio study of the two-photon circular dichroism in chiral natural amino acids

An ab initio investigation of the Buckingham birefringence of furan, thiophene, and selenophene in cyclohexane solution

Analysis of the Electronic Circular Dichroism Spectrum of (−)-[9](2,5)Pyridinophane

Analytic calculations of nonlinear mixed electric and magnetic frequency-dependent molecular properties using London atomic orbitals: Buckingham birefringence

Analytical calculations of frequency-dependent hypermagnetizabilities and Cotton–Mouton constants using London atomic orbitals

Cavity field effects within a polarizable continuum model of solvation: Application to the calculation of electronic circular dichroism spectra of R-(+)-3-methyl-cyclopentanone

Combined density functional/polarizable continuum model study of magnetochiral birefringence: can theory and experiment be brought to agreement?

Communication: nuclear quadrupole moment-induced Cotton-Mouton effect in noble gas atoms

Computational Challenges in Simulating and Analyzing Experimental Linear and Nonlinear Circular Dichroism Spectra.R-(+)-1,1′-Bis(2-naphthol) as a Prototype Case

Computational study of the one- and two-photon absorption and circular dichroism of (L)-tryptophan

Conformational Effects on the Optical Rotation of Alanine and Proline

Cotton-Mouton effect and shielding polarizabilities of ethylene: An MCSCF study

Coupled cluster calculations of the ground state potential and interaction induced electric properties of the mixed dimers of helium, neon and argon

Coupled cluster investigation of the electric-field-gradient-induced birefringence of H2, N2, C2H2, and CH4

Damped response theory description of two-photon absorption

Density dependence of electric properties of binary mixtures of inert gases

Density-functional and electron correlated study of five linear birefringences--Kerr, Cotton-Mouton, Buckingham, Jones, and magnetoelectric--in gaseous benzene

Density-functional theory study of electric and magnetic properties of hexafluorobenzene in the vapor phase

Differences in Two-Photon and One-Photon Absorption Profiles Induced by Vibronic Coupling: The Case of Dioxaborine Heterocyclic Dye

Electric field dependence of magnetic properties: Multiconfigurational self‐consistent field calculations of hypermagnetizabilities and nuclear shielding polarizabilities of N2, C2H2, HCN, and H2O

Electric field effects on the shielding constants of noble gases: A four-component relativistic Hartree-Fock study

Electric field gradient, generalized Sternheimer shieldings and electric field gradient polarizabilities by multiconfigurational SCF response

Erratum: “Density-functional and electron correlated study of five linear birefringences—Kerr, Cotton–Mouton, Buckingham, Jones and magnetoelectric—in gaseous benzene” [J. Chem. Phys. 121, 8814 (2004)]; “Density-functional study of electr

Four-component Hartree-Fock calculations of magnetic-field induced circular birefringence--Faraday effect--in noble gases and dihalogens

Jones and magnetoelectric birefringence of pure substances — A computational study

MCSCF calculations of Verdet constants

MCSCF calculations of hypermagnetizabilities and nuclear shielding polarizabilities of CO and CH4

MCSCF nuclear magnetic shieldings and spin-rotation constants of 17O in 16O17O16O and 17O16O16O

Molecularly Imprinted Nanoparticles towards MMP9 for Controlling Cardiac ECM after Myocardial Infarction: A Predictive Experimental-Computational Chemistry Investigation

Nonlinear effects in the interaction of time-dependent fields and chiral systems: A computational investigation

Nuclear spin circular dichroism

On the molecular electric quadrupole moment and the electric-field-gradient-induced birefringence of CO2 and CS2

On the origin of the very strong two-photon activity of squaraine dyes--a standard/damped response theory study.

Origin invariant approaches to the calculation of two-photon circular dichroism

Origin-independent two-photon circular dichroism calculations in coupled cluster theory

Predicting the Helical Sense of Poly(phenylacetylene)s from their Electron Circular Dichroism Spectra.

Quantum Mechanical Polarizable Continuum Model Approach to the Kerr Effect of Pure Liquids

Relativistic effects on Sternheimer shieldings and the polarizabilities of the electric-field gradient at the nucleus: HX (X=F,Cl,Br,I,At) and Br2

Relativistic four-component calculations of Buckingham birefringence using London atomic orbitals

Solvent effects on the conformational distribution and optical rotation of gamma-methyl paraconic acids and esters.

Solvent effects on the three-photon absorption of a symmetric charge-transfer molecule

Sternheimer shieldings and EFG polarizabilities: a density-functional theory study

Strong Two-Photon Circular Dichroism in Helicenes: A Theoretical Investigation

The CO–Ne van der Waals complex: ab initio intermolecular potential energy, interaction induced electric dipole moment and polarizability surfaces, and second virial coefficients

The Cotton-Mouton effect of liquid water. Part I: The dielectric continuum model

The Cotton-Mouton effect of neon and argon: a benchmark study using highly correlated coupled cluster wave functions

The Cotton–Mouton effect of furan and its homologues in the gas phase, for the pure liquids and in solution

The Cotton–Mouton effect of gaseous CO2, N2O, OCS, and CS2. A cubic response multiconfigurational self-consistent field study

The Cotton–Mouton effect of gaseous N2, CO, CO2, N2O, OCS and CS2: a density functional approach to high-order mixed electric and magnetic properties

The Cotton–Mouton effect of liquid water. Part II: The semi-continuum model

The Effect of the π-Electron Delocalization Curvature on the Two-Photon Circular Dichroism of Molecules with Axial Chirality

The magnetic hyperpolarizability anisotropy of the neon atom

The magnetizability, rotationalgtensor and quadrupole moment of the boron trihalides

The nuclear-spin-rotation constants of HCY, HSiY, and SiY2 (Y=F, Cl): An ab initio study

Theoretical pressure and dielectric second virial coefficients of CO-Ar

Theory for vibrationally resolved two-photon circular dichroism spectra. Application to (R)-(+)-3-methylcyclopentanone

Two-photon absorption and two-photon circular dichroism of hexahelicene derivatives: a study of the effect of the nature of intramolecular charge transfer

Two-photon absorption circular dichroism: a new twist in nonlinear spectroscopy

Two-photon absorption circular-linear dichroism on axial enantiomers

Two-photon circular dichroism of an axially dissymmetric diphosphine ligand with strong intramolecular charge transfer

Two-photon polarization dependent spectroscopy in chirality: a novel experimental-theoretical approach to study optically active systems.

Vibronic Coupling Dominates the Electronic Circular Dichroism of the Benzene Chromophore 1Lb band

Vibronic induced one- and two-photon absorption in a charge-transfer stilbene derivate

Vibronically resolved electronic circular dichroism spectra of (R)-(+)-3-methylcyclopentanone: a theoretical study