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Physical Chemistry

Working Paper

Bethe-Salpeter Study of the Optical Absorption of trans and cis Azobenzene-Functionalized Metal-Organic Frameworks using Molecular and Periodic Models

Aseem Rajan Kshirsagar, Claudio Attaccalite, Xavier Blase, Jing Li, Roberta Poloni

Version 1 posted 24 February 2021

299

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Nanoscience

Working Paper

The Effect of Particle Size on the Optical and Electronic Properties of Hydrogenated Silicon Nanoparticles

Eimear Madden, Martinus Antonius Zwijnenburg

Version 2 posted 19 December 2023

143

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Theoretical and Computational Chemistry

Working Paper

Optical Properties of Phenylthiolate Capped CdS Nanoparticles

Eimear Madden, Martiijn A. Zwijnenburg

Version 1 posted 01 October 2024

41

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Materials Chemistry

Working Paper

Mixed-Cation Vacancy-Ordered Perovskites (Cs₂Ti₁₋ₓSnₓX₆; X = I, Br): High Miscibility, Additivity and Tunable Stability

Shanti Liga, Seán R. Kavanagh, Aron Walsh, David O. Scanlon, Gerasimos Konstantatos

Version 2 posted 22 September 2023

551

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Catalysis

Working Paper

Correlating Optical and Structural Properties of CO on Transition Metal Surfaces

Mai-Anh Ha, Dimitar Pashov, Mark van Schilfgaarde

Version 1 posted 01 July 2024

105

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Theoretical and Computational Chemistry

Working Paper

Practical post-Kohn-Sham methods for time-reversal symmetry breaking references

Christof Holzer

Version 1 posted 08 February 2023

276

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Physical Chemistry

Working Paper

The Effect of Particle Size and Composition on the Optical and Electronic Properties of CdO and CdS Rocksalt Nanoparticles

Martijn Zwijnenburg

Version 1 posted 17 March 2022

103

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Materials Chemistry

Working Paper

Frenkel Excitons in Vacancy-ordered Titanium Halide Perovskites (Cs₂TiX₆)

Seán R. Kavanagh, Christopher N. Savory, Shanti M. Liga, Gerasimos Konstantatos, Aron Walsh, David O. Scanlon

Version 3 posted 03 November 2022

921

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Physical Chemistry

Working Paper

Strongly Bound Excitons in Metal-Organic Framework MOF-5: A Many-Body Perturbation Theory Study

Aseem Rajan Kshirsagar, Xavier Blase, Claudio Attaccalite, Roberta Poloni

Version 1 posted 16 February 2021

562

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9 results in GW in Keywords: GW

Bethe-Salpeter Study of the Optical Absorption of trans and cis Azobenzene-Functionalized Metal-Organic Frameworks using Molecular and Periodic Models

The Effect of Particle Size on the Optical and Electronic Properties of Hydrogenated Silicon Nanoparticles

Optical Properties of Phenylthiolate Capped CdS Nanoparticles

Mixed-Cation Vacancy-Ordered Perovskites (Cs₂Ti₁₋ₓSnₓX₆; X = I, Br): High Miscibility, Additivity and Tunable Stability

Correlating Optical and Structural Properties of CO on Transition Metal Surfaces

Practical post-Kohn-Sham methods for time-reversal symmetry breaking references

The Effect of Particle Size and Composition on the Optical and Electronic Properties of CdO and CdS Rocksalt Nanoparticles

Frenkel Excitons in Vacancy-ordered Titanium Halide Perovskites (Cs₂TiX₆)

Strongly Bound Excitons in Metal-Organic Framework MOF-5: A Many-Body Perturbation Theory Study

9 results in Keywords: GW