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Modeling UV-Vis spectra of low dimensional materials using electrostatic embedding: the case of CdSe
Davide Luise
,
Liam Wilbraham
,
Frédéric Labat
,
Ilaria Ciofini
Journal articles
hal-03297217v1
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Electron Storage System Based on a Two-Way Inversion of Redox Potentials
Alexis Gosset
,
Liam Wilbraham
,
Sťepańka Novaḱoválachmanova
,
Romana Sokolová
,
Greǵory Dupeyre
,
et al.
Journal articles
hal-02878874v1
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Comparison of structural dynamics and coherence of d–d and MLCT light-induced spin state trapping
S. Zerdane
,
Liam Wilbraham
,
Marco Cammarata
,
Olga Iasco
,
Eric Rivière
,
et al.
Journal articles
hal-01513382v1
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Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexes
Liam Wilbraham
,
Carlo Adamo
,
Ilaria Ciofini
Journal articles
hal-02234432v1
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Emissive Azobenzenes Delivered on a Silver Coordination Polymer
Jingjing Yan
,
Liam Wilbraham
,
Prem Basa
,
Mischa Schüttel
,
John Macdonald
,
et al.
Journal articles
hal-02105069v1
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Modelling photophysical properties of metal–organic frameworks: a density functional theory based approach
Liam Wilbraham
,
François-Xavier Coudert
,
Ilaria Ciofini
Journal articles
hal-02116956v1
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Exploring excited states using Time Dependent Density Functional Theory and density-based indexes
Carlo Adamo
,
T. Le Bahers
,
Marika Savarese
,
Liam Wilbraham
,
Gregorio García
,
et al.
Journal articles
hal-01234580v1
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Theoretical Study of Excited-state Processes in the Condensed Phase
Liam Wilbraham
Theoretical and/or physical chemistry. Université Paris sciences et lettres, 2017. English. ⟨NNT : 2017PSLEC001⟩
Theses
tel-01730939v1
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Electrostatic Embedding To Model the Impact of Environment on Photophysical Properties of Molecular Crystals: A Self-Consistent Charge Adjustment Procedure
Liam Wilbraham
,
Carlo Adamo
,
Frédéricfrédéfrédéric Labat
,
Ilaria Ciofini
Journal articles
hal-01534248v1
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Revealing the Origins of Mechanically Induced Fluorescence Changes in Organic Molecular Crystals
Liam Wilbraham
,
Marine Louis
,
Domenico Alberga
,
Arnaud Brosseau
,
Régis Guillot
,
et al.
Journal articles
hal-01864554v1
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