Lista de obras - Aurélie Perrier - Dominio Público Uruguay

A DFT study of a new class of gold nanocluster-photochrome multi-functional switches

artículo científico publicado en 2014

A theoretical spectroscopy investigation of bifunctional platinum-bridged diarylethenes

A theoretical study of the perfluoro-diarylethenes electronic spectra

Ab Initio Investigation of the Electronic Properties of Coupled Dithienylethenes

article

Accidental degeneracy in the spiropyran radical cation: charge transfer between two orthogonal rings inducing ultra-efficient reactivity

artículo científico publicado en 2016

Aggregation-caused quenching versus crystallization induced emission in thiazolo[5,4-b]thieno[3,2-e]pyridine (TTP) derivatives: theoretical insights

artículo científico publicado en 2018

An ab initio simulation of a dithienylethene/phenoxynaphthacenequinone photochromic hybrid

Bridged photochromic diarylethenes investigated by ultrafast absorption spectroscopy: evidence for two distinct photocyclization pathways.

artículo científico publicado en 2010

Can betaine pyridinium derivatives be used to control the photoejection of cation?

artículo científico publicado en 2016

Competitive direct vs. indirect photochromism dynamics of constrained inverse dithienylethene molecules

article

Density functional theory study of the conformation and optical properties of hybrid Au(n)-dithienylethene systems (n = 3, 19, 25)

scientific article published on 20 June 2014

Detection of a few DNA copies by real-time electrochemical polymerase chain reaction.

artículo científico publicado en 2017

Diarylethene–dihydroazulene multimode photochrome: a theoretical spectroscopic investigation

article

Do inverse dithienylethenes behave as normal ones? A joint spectroscopic and theoretical investigation

scientific article published on 01 May 2013

Doubly Closing or Not? Theoretical Analysis for Coupled Photochromes

article

Excited-State Dynamics of Dithienylethenes Functionalized for Self-Supramolecular Assembly.

artículo científico publicado en 2018

Excited-state dynamics of thiophene substituted betaine pyridinium compounds

article

Full ring closing in a diarylethene hexamer: insights from theory

artículo científico publicado en 2012

Hybrid dithienylethene-naphthopyran multi-addressable photochromes: an ab initio analysis

article

In Silico Design of New Inhibitors Against Hemagglutinin of Influenza

scientific article published on 14 January 2019

Interaction of osmium(ii) redox probes with DNA: insights from theory.

artículo científico publicado en 2016

Interplay Between Electronic and Steric Effects in Multiphotochromic Diarylethenes

Inverse versus Normal Dithienylethenes: Computational Investigation of the Photocyclization Reaction

Modeling the photosensitizing properties of thiolate-protected gold nanoclusters.

artículo científico publicado en 2016

Morphological and charge transport properties of amorphous and crystalline P3HT and PBTTT: insights from theory.

artículo científico publicado en 2015

Multiphotochromic molecular systems

artículo científico

Multiswitchable Acidichromic and Photochromic Bisdiarylethene. An Experimental and Theoretical Study

article

Nature of the excited states in large photochromic dimers: A TD-DFT examination

article by Aurélie Perrier et al published June 2011 in Chemical Physics Letters

New insights into the by-product fatigue mechanism of the photo-induced ring-opening in diarylethenes.

artículo científico publicado en 2014

New insights into the photoswitching mechanisms of normal dithienylethenes.

artículo científico publicado en 2016

On the Use of pH Titration to Quantitatively Characterize Colloidal Nanoparticles

artículo científico publicado en 2012

On the photochromic properties of dithienylethenes grafted on gold clusters

Optical Properties of Diarylethenes with TD-DFT: 0–0 Energies, Fluorescence, Stokes Shifts, and Vibronic Shapes

Photochromic molecular wires: Insights from theory

Photochromic properties of a dithienylethene–indolinooxazolidine switch: A theoretical investigation

SCC-DFTB parameters for simulating hybrid gold-thiolates compounds

artículo científico publicado en 2015

Simulation of the Properties of a Photochromic Triad

Single molecule multiphotochromism with diarylethenes

artículo científico publicado en 2012

Spectral properties of spirooxazine photochromes: TD-DFT insights

artículo científico publicado en 2009

TD-DFT simulations of the electronic properties of star-shaped photochromes

article

The excited state dipole moments of betaine pyridinium investigated by an innovative solvatochromic analysis and TDDFT calculations

artículo científico publicado en 2011

The photochemistry of inverse dithienylethene switches understood.

artículo científico publicado en 2014

Theoretical investigation of the photochromic properties of [2.2]paracyclophane-bridged imidazole dimers and bis(imidazole) dimers

Unraveling ultrafast dynamics of the photoswitchable bridged dithienylethenes under structural constraints

artículo científico publicado en 2019

Lista de obras de Aurélie Perrier

A DFT study of a new class of gold nanocluster-photochrome multi-functional switches

A theoretical spectroscopy investigation of bifunctional platinum-bridged diarylethenes

A theoretical study of the perfluoro-diarylethenes electronic spectra

Ab Initio Investigation of the Electronic Properties of Coupled Dithienylethenes

Accidental degeneracy in the spiropyran radical cation: charge transfer between two orthogonal rings inducing ultra-efficient reactivity

Aggregation-caused quenching versus crystallization induced emission in thiazolo[5,4-b]thieno[3,2-e]pyridine (TTP) derivatives: theoretical insights

An ab initio simulation of a dithienylethene/phenoxynaphthacenequinone photochromic hybrid

Bridged photochromic diarylethenes investigated by ultrafast absorption spectroscopy: evidence for two distinct photocyclization pathways.

Can betaine pyridinium derivatives be used to control the photoejection of cation?

Competitive direct vs. indirect photochromism dynamics of constrained inverse dithienylethene molecules

Density functional theory study of the conformation and optical properties of hybrid Au(n)-dithienylethene systems (n = 3, 19, 25)

Detection of a few DNA copies by real-time electrochemical polymerase chain reaction.

Diarylethene–dihydroazulene multimode photochrome: a theoretical spectroscopic investigation

Do inverse dithienylethenes behave as normal ones? A joint spectroscopic and theoretical investigation

Doubly Closing or Not? Theoretical Analysis for Coupled Photochromes

Excited-State Dynamics of Dithienylethenes Functionalized for Self-Supramolecular Assembly.

Excited-state dynamics of thiophene substituted betaine pyridinium compounds

Full ring closing in a diarylethene hexamer: insights from theory

Hybrid dithienylethene-naphthopyran multi-addressable photochromes: an ab initio analysis

In Silico Design of New Inhibitors Against Hemagglutinin of Influenza

Interaction of osmium(ii) redox probes with DNA: insights from theory.

Interplay Between Electronic and Steric Effects in Multiphotochromic Diarylethenes

Inverse versus Normal Dithienylethenes: Computational Investigation of the Photocyclization Reaction

Modeling the photosensitizing properties of thiolate-protected gold nanoclusters.

Morphological and charge transport properties of amorphous and crystalline P3HT and PBTTT: insights from theory.

Multiphotochromic molecular systems

Multiswitchable Acidichromic and Photochromic Bisdiarylethene. An Experimental and Theoretical Study

Nature of the excited states in large photochromic dimers: A TD-DFT examination

New insights into the by-product fatigue mechanism of the photo-induced ring-opening in diarylethenes.

New insights into the photoswitching mechanisms of normal dithienylethenes.

On the Use of pH Titration to Quantitatively Characterize Colloidal Nanoparticles

On the photochromic properties of dithienylethenes grafted on gold clusters

Optical Properties of Diarylethenes with TD-DFT: 0–0 Energies, Fluorescence, Stokes Shifts, and Vibronic Shapes

Photochromic molecular wires: Insights from theory

Photochromic properties of a dithienylethene–indolinooxazolidine switch: A theoretical investigation

SCC-DFTB parameters for simulating hybrid gold-thiolates compounds

Simulation of the Properties of a Photochromic Triad

Single molecule multiphotochromism with diarylethenes

Spectral properties of spirooxazine photochromes: TD-DFT insights

TD-DFT simulations of the electronic properties of star-shaped photochromes

The excited state dipole moments of betaine pyridinium investigated by an innovative solvatochromic analysis and TDDFT calculations

The photochemistry of inverse dithienylethene switches understood.

Theoretical investigation of the photochromic properties of [2.2]paracyclophane-bridged imidazole dimers and bis(imidazole) dimers

Unraveling ultrafast dynamics of the photoswitchable bridged dithienylethenes under structural constraints