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authFullName_s : Liam Wilbraham
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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 of Computational Chemistry, 2021, 42 (17), pp.1212-1224. ⟨10.1002/jcc.26534⟩
Journal articles hal-03297217v1

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 of the American Chemical Society, 2020, ⟨10.1021/jacs.9b12762⟩
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.
Chemical Science, 2017, 8 (7), pp.4978-4986. ⟨10.1039/C6SC05624E⟩
Journal articles hal-01513382v1

Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexes

Liam Wilbraham , Carlo Adamo , Ilaria Ciofini
Journal of Chemical Physics, 2018, 148 (4), pp.041103. ⟨10.1063/1.5019641⟩
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.
Inorganic Chemistry, 2018, 57 (23), pp.15009-15022. ⟨10.1021/acs.inorgchem.8b02845⟩
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
Physical Chemistry Chemical Physics, 2016, 18 (36), pp.25176-25182. ⟨10.1039/C6CP04056J⟩
Journal articles hal-02116956v1

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.
Coordination Chemistry Reviews, 2015, 304-305, ⟨10.1016/j.ccr.2015.03.027⟩
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 of Chemical Theory and Computation, 2016, 12, pp.3316 - 3324. ⟨10.1021/acs.jctc.6b00263⟩
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.
Advanced Materials, 2018, 30 (28), ⟨10.1002/adma.201800817⟩
Journal articles hal-01864554v1