List of works - Adèle D Laurent

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

scientific article published on 16 June 2016

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

scientific article published on 01 June 2009

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

scientific article published on 19 August 2019

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

scientific article published on 27 November 2012

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

scientific article published on 05 March 2015

Dye chemistry with time-dependent density functional theory.

scientific article published in July 2014

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

scientific article published on 28 January 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

scientific article published on May 2014

Exploring structural and optical properties of fluorescent proteins by squeezing: modeling high-pressure effects on the mStrawberry and mCherry red fluorescent proteins.

scientific article

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

scientific article published on 01 August 2008

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

scientific article published on 8 November 2014

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

scientific article published on 3 June 2019

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

scientific article published on October 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

scientific article published on 22 October 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?

scientific article published on 9 September 2013

Key Building Block of Photoresponsive Biomimetic Systems

scientific article published on 06 January 2011

Methodological keys for accurate pKa* simulations

scientific article published on 01 July 2013

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

scientific article published on 01 January 2014

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

scientific article published on 12 February 2015

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

scientific article published on 20 November 2015

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

scientific article published on 25 November 2016

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

scientific article published on 17 October 2017

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

scientific article published on 25 March 2016

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

scientific article published on 30 May 2018

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

scientific article published on 12 January 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

scientific article published on 24 December 2014

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

scientific article published on 24 December 2017

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

scientific article published on 19 February 2016

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

scientific article published in April 2008

Toward the understanding of the environmental effects on core ionizations

scientific article published on 18 April 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

scientific article published on 21 August 2014

List of works by Adèle D Laurent