Lista de obras - Adèle D Laurent - Dominio Público Uruguay

A Joint Theoretical and Experimental Study of the Behavior of the DIDS Inhibitor and its Derivatives

artículo científico publicado en 2016

Analyzing the Selectivity and Successiveness of a Two-Electron Capture on a Multiply Disulfide-Linked Protein

artículo científico publicado en 2009

Binding of Sulfoxaflor to Aplysia californica-AChBP: Computational Insights from Multiscale Approaches

artículo científico publicado en 2019

Conformational exploration of two peptides and their hybrid polymer conjugates: potentialities as self-aggregating materials

artículo científico publicado en 2012

Direct and Indirect Effects of Dispersion Interactions on the Electric Properties of Weakly Bound Complexes

artículo científico publicado en 2015

Dye chemistry with time-dependent density functional theory

artículo científico publicado en 2014

Effect of the Enhanced Cyan Fluorescent Protein framework on the UV/visible absorption spectra of some chromophores.

artículo científico publicado en 2010

Exceptional Stability of Azacalixphyrin and Its Dianion

article

Excited States of Ladder-Type π-Conjugated Dyes with a Joint SOS-CIS(D) and PCM-TD-DFT Approach

scientific article published on 08 January 2015

Excited-State Geometries of Solvated Molecules: Going Beyond the Linear-Response Polarizable Continuum Model

artículo científico publicado en 2014

Exploring Structural and Optical Properties of Fluorescent Proteins by Squeezing: Modeling High-Pressure Effects on the mStrawberry and mCherry Red Fluorescent Proteins ⬇️

artículo científico publicado el 5 de octubre de 2012

Huge Disulfide-Linkage’S Electron Capture Variation Induced by α-Helix Orientation

artículo científico publicado en 2008

Imidacloprid and thiacloprid neonicotinoids bind more favourably to cockroach than to honeybee α6 nicotinic acetylcholine receptor: insights from computational studies

artículo científico publicado en 2014

Iminothioindoxyl as a molecular photoswitch with 100 nm band separation in the visible range.

artículo científico publicado en 2019

Improving the Accuracy of Excited-State Simulations of BODIPY and Aza-BODIPY Dyes with a Joint SOS-CIS(D) and TD-DFT Approach

artículo científico publicado en 2014

Influence of the Nature of the Amino Group in Highly Fluorescent Difluoroborates Exhibiting Intramolecular Charge Transfer

scientific article published on 06 July 2018

Investigation of ESIPT in a panel of chromophores presenting N-H∙∙∙N intramolecular hydrogen bonds

artículo científico publicado en 2014

Investigation of Phospholipase Cγ1 Interaction with SLP76 Using Molecular Modeling Methods for Identifying Novel Inhibitors

scientific article published on 23 September 2019

Is the Tamm-Dancoff Approximation Reliable for the Calculation of Absorption and Fluorescence Band Shapes?

artículo científico publicado en 2013

Key Building Block of Photoresponsive Biomimetic Systems

artículo científico publicado en 2011

Methodological keys for accurate pKa* simulations

artículo científico publicado en 2013

Modeling optical signatures and excited-state reactivities of substituted hydroxyphenylbenzoxazole (HBO) ESIPT dyes

artículo científico publicado en 2014

Molecular features and toxicological properties of four common pesticides, acetamiprid, deltamethrin, chlorpyriphos and fipronil

artículo científico publicado en 2015

Molecular recognition of thiaclopride by Aplysia californica AChBP: new insights from a computational investigation.

artículo científico publicado en 2015

Physicochemical and Electronic Properties of Cationic [6]Helicenes: from Chemical and Electrochemical Stabilities to Far-Red (Polarized) Luminescence.

artículo científico publicado en 2016

Shedding Light on the Photoisomerization Pathway of Donor-Acceptor Stenhouse Adducts.

artículo científico publicado en 2017

Solvatochromic Shifts in UV–Vis Absorption Spectra: The Challenging Case of 4-Nitropyridine N-Oxide

artículo científico publicado en 2016

Solvent Effects on the Actinic Step of Donor-Acceptor Stenhouse Adduct Photoswitching

artículo científico publicado en 2018

Spectral properties of self-assembled squaraine-tetralactam: a theoretical assessment

artículo científico publicado en 2009

Sterically Hindered 2‐(2’‐Hydroxyphenyl)benzoxazole (HBO) Emitters: Synthesis, Spectroscopic Studies, and Theoretical Calculations

scientific article published in 2022

TD-DFT Assessment of the Excited State Intramolecular Proton Transfer in Hydroxyphenylbenzimidazole (HBI) Dyes

artículo científico publicado en 2014

Tailoring Photoisomerization Pathways in Donor-Acceptor Stenhouse Adducts: The Role of the Hydroxy Group.

artículo científico publicado en 2017

The Influence of the π-Conjugated Spacer on Photophysical Properties of Difluoroboranyls Derived from Amides Carrying a Donor Group

artículo científico publicado en 2016

Theoretical Investigation of the Geometries and UV-vis Spectra of Poly(l-glutamic acid) Featuring a Photochromic Azobenzene Side Chain.

artículo científico publicado en 2008

Toward the understanding of the environmental effects on core ionizations

artículo científico publicado en 2014

Tuning ESIPT fluorophores into dual emitters

White Emitters by Tuning the Excited-State Intramolecular Proton-Transfer Fluorescence Emission in 2-(2′-Hydroxybenzofuran)benzoxazole Dyes

artículo científico publicado en 2014

Lista de obras de Adèle D Laurent

A Joint Theoretical and Experimental Study of the Behavior of the DIDS Inhibitor and its Derivatives

Analyzing the Selectivity and Successiveness of a Two-Electron Capture on a Multiply Disulfide-Linked Protein

Binding of Sulfoxaflor to Aplysia californica-AChBP: Computational Insights from Multiscale Approaches

Conformational exploration of two peptides and their hybrid polymer conjugates: potentialities as self-aggregating materials

Direct and Indirect Effects of Dispersion Interactions on the Electric Properties of Weakly Bound Complexes

Dye chemistry with time-dependent density functional theory

Effect of the Enhanced Cyan Fluorescent Protein framework on the UV/visible absorption spectra of some chromophores.

Exceptional Stability of Azacalixphyrin and Its Dianion

Excited States of Ladder-Type π-Conjugated Dyes with a Joint SOS-CIS(D) and PCM-TD-DFT Approach

Excited-State Geometries of Solvated Molecules: Going Beyond the Linear-Response Polarizable Continuum Model

Exploring Structural and Optical Properties of Fluorescent Proteins by Squeezing: Modeling High-Pressure Effects on the mStrawberry and mCherry Red Fluorescent Proteins ⬇️

Huge Disulfide-Linkage’S Electron Capture Variation Induced by α-Helix Orientation

Imidacloprid and thiacloprid neonicotinoids bind more favourably to cockroach than to honeybee α6 nicotinic acetylcholine receptor: insights from computational studies

Iminothioindoxyl as a molecular photoswitch with 100 nm band separation in the visible range.

Improving the Accuracy of Excited-State Simulations of BODIPY and Aza-BODIPY Dyes with a Joint SOS-CIS(D) and TD-DFT Approach

Influence of the Nature of the Amino Group in Highly Fluorescent Difluoroborates Exhibiting Intramolecular Charge Transfer

Investigation of ESIPT in a panel of chromophores presenting N-H∙∙∙N intramolecular hydrogen bonds

Investigation of Phospholipase Cγ1 Interaction with SLP76 Using Molecular Modeling Methods for Identifying Novel Inhibitors

Is the Tamm-Dancoff Approximation Reliable for the Calculation of Absorption and Fluorescence Band Shapes?

Key Building Block of Photoresponsive Biomimetic Systems

Methodological keys for accurate pKa* simulations

Modeling optical signatures and excited-state reactivities of substituted hydroxyphenylbenzoxazole (HBO) ESIPT dyes

Molecular features and toxicological properties of four common pesticides, acetamiprid, deltamethrin, chlorpyriphos and fipronil

Molecular recognition of thiaclopride by Aplysia californica AChBP: new insights from a computational investigation.

Physicochemical and Electronic Properties of Cationic [6]Helicenes: from Chemical and Electrochemical Stabilities to Far-Red (Polarized) Luminescence.

Shedding Light on the Photoisomerization Pathway of Donor-Acceptor Stenhouse Adducts.

Solvatochromic Shifts in UV–Vis Absorption Spectra: The Challenging Case of 4-Nitropyridine N-Oxide

Solvent Effects on the Actinic Step of Donor-Acceptor Stenhouse Adduct Photoswitching

Spectral properties of self-assembled squaraine-tetralactam: a theoretical assessment

Sterically Hindered 2‐(2’‐Hydroxyphenyl)benzoxazole (HBO) Emitters: Synthesis, Spectroscopic Studies, and Theoretical Calculations

TD-DFT Assessment of the Excited State Intramolecular Proton Transfer in Hydroxyphenylbenzimidazole (HBI) Dyes

Tailoring Photoisomerization Pathways in Donor-Acceptor Stenhouse Adducts: The Role of the Hydroxy Group.

The Influence of the π-Conjugated Spacer on Photophysical Properties of Difluoroboranyls Derived from Amides Carrying a Donor Group

Theoretical Investigation of the Geometries and UV-vis Spectra of Poly(l-glutamic acid) Featuring a Photochromic Azobenzene Side Chain.

Toward the understanding of the environmental effects on core ionizations

Tuning ESIPT fluorophores into dual emitters

White Emitters by Tuning the Excited-State Intramolecular Proton-Transfer Fluorescence Emission in 2-(2′-Hydroxybenzofuran)benzoxazole Dyes