Pauline Colinet

Identifiants chercheurs

IdHAL :

pauline-colinet

ORCID :

0000-0003-1753-4001

Publications

Article dans une revue (9)

The “Bubblepole” (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting Frank Neese,Pauline Colinet,Bernardo Desouza,Benjamin Helmich-Paris,Frank Wennmohset al. Journal of Physical Chemistry A, 2025, 129 (10), pp.2618-2637. ⟨10.1021/acs.jpca.4c07415⟩ Article dans une revue hal-05137513v1
Improving the Efficiency of Electrostatic Embedding Using the Fast Multipole Method Pauline Colinet,Frank Neese,Benjamin Helmich‐paris Journal of Computational Chemistry, 2024, 46 (1), ⟨10.1002/jcc.27532⟩ Article dans une revue hal-05137522v1
New shades of photochromism – yellow sodalites for the detection of blue light Hannah Byron,Teppo Kreivilä,Pauline Colinet,Tangui Le Bahers,Mika Lastusaari Journal of Materials Chemistry C, 2023, 11 (9), pp.3360-3374. ⟨10.1039/D3TC00116D⟩ Article dans une revue hal-04281951v1
Highly Tuneable Photochromic Sodalites for Dosimetry, Security Marking and Imaging Hannah Charlotte Byron,Claudia Swain,Pyry Paturi,Pauline Colinet,Raphaël Rullanet al. Advanced Functional Materials, 2023, 33 (42), pp.6264-6285. ⟨10.1002/adfm.202303398⟩ Article dans une revue hal-04281956v1
Sensitive 1,1-dicyanovinyl push-pull dye for primary amine sensing in solution by fluorescence Lulu Bu,Maxime Rémond,Pauline Colinet,Erwann Jeanneau,Tangui Le Baherset al. Dyes and Pigments, 2022, 202, pp.110258. ⟨10.1016/j.dyepig.2022.110258⟩ Article dans une revue hal-03795976v1
The structural origin of the efficient photochromism in natural minerals Pauline Colinet,Hannah Byron,Sami Vuori,Juha-Pekka Lehtiö,Pekka Laukkanenet al. Proceedings of the National Academy of Sciences of the United States of America, 2022, 119 (23), ⟨10.1073/pnas.2202487119⟩ Article dans une revue hal-03821181v1
Detection of X‐Ray Doses with Color‐Changing Hackmanites: Mechanism and Application Sami Vuori,Pauline Colinet,Isabella Norrbo,Ralph Steininger,Timo Saarinenet al. Advanced Optical Materials, 2021, 9 (20), pp.2100762. ⟨10.1002/adom.202100762⟩ Article dans une revue hal-03821209v1
Phosphine-based push-pull AIE fluorophores: Synthesis, photophysical properties, and TD-DFT studies Maxime Rémond,Pauline Colinet,Erwan Jeanneau,Tangui Le Bahers,Chantal Andraudet al. Dyes and Pigments, 2021, 193 (1), pp.109485. ⟨10.1016/j.dyepig.2021.109485⟩ Article dans une revue hal-03821202v1
Two-sites are better than one: revisiting the OER mechanism on CoOOH by DFT with electrode polarization Antton Curutchet,Pauline Colinet,Carine Michel,Stephan N. Steinmann,Tangui Le Bahers Physical Chemistry Chemical Physics, 2020, 22 (13), pp.7031-7038. ⟨10.1039/D0CP00281J⟩ Article dans une revue hal-02519600v1

Communication dans un congrès (6)

Tenebrescent minerals by in silico modelling. Pauline Colinet,Tangui Le Bahers Journée DCP 2024, Feb 2024, Paris, France Communication dans un congrès hal-04738450v1
In silico modelling of photochromic minerals through DFT and TD‐DFT calculations. Pauline Colinet,Tangui Le Bahers Webinaire du Réseaux Français de Chimie Théorique, Jun 2021, Nantes, France Communication dans un congrès hal-04738442v1
Simulation of Absorption and Fluorescence Spectra of Coloured Centers in Photochromic Sodalites from TD‐DFT Calculations. Pauline Colinet,Tangui Le Bahers JTMS 2019 : Journées « Théorie, Modélisation et Simulation, Jun 2019, Paris, France Communication dans un congrès hal-04737988v1
Understanding the Photochemic Mechanism of Sulfur‐Doped Sodalites from TD‐DFT and post‐HF Calculations. Pauline Colinet,Tangui Le Bahers 18th International Conference on Density‐Functional Theory and its Applications, Jul 2019, Alicante (SPAIN), Spain Communication dans un congrès hal-04738433v1
Revealing the Photochromism Mechanism of Sulphur-Doped Sodalites using DFT, TD-DFT and SAC-CI methods. Tangui Le Bahers,Curutchet Antton,Pauline Colinet,Isabella Norrbo,Mika Lastusaari International Conference on Molecular Simulation 2019, Nov 2019, Jeju, South Korea Communication dans un congrès hal-02357972v1
On the Understanding of the Photochemic Mechanism of Sulfur‐Doped Sodalites from TD‐DFT and post‐HF Calculations. Pauline Colinet,Tangui Le Bahers 5th International Workshops on Nano and Bio‐Photonics, Sep 2019, Saint Nectaire, France Communication dans un congrès hal-04738088v1

Poster de conférence (2)

Modelling spectroscopic properties of natural photochromic materials with TD‐DFT : From F‐centers absorption to charge transfer transitions Pauline Colinet,Tangui Le Bahers Virtual Winter School on Computational Chemistry, Feb 2021, Lyon, France Poster de conférence hal-04738462v1
Research activities on solar fuels in the laboratoy of Chemistry of ENS Lyon – Group of Theoretical Chemistry Tangui Le Bahers,Curutchet Antton,Stephan N. Steinmann,Ivan Rivalta,Pauline Colinet Journée des Carburants Solaires 2017, May 2017, Autran, France Poster de conférence hal-02073958v1