Reeves KG - Search Results

1

A first-principles investigation of the structural and electrochemical properties of biredox ionic species in acetonitrile.

Reeves KG , Serva A , Jeanmairet G , Salanne M . Reeves KG , et al. Phys Chem Chem Phys. 2020 May 21;22(19):10561-10568. doi: 10.1039/c9cp06658f. Epub 2020 Feb 19. Phys Chem Chem Phys. 2020. PMID: 32073058

2

Electron transfer of functionalized quinones in acetonitrile.

Hsu TY, Berthin R, Serva A, Reeves K, Salanne M, Jeanmairet G. Hsu TY, et al. J Chem Phys. 2022 Sep 7;157(9):094103. doi: 10.1063/5.0102238. J Chem Phys. 2022. PMID: 36075704

3

Solvation of anthraquinone and TEMPO redox-active species in acetonitrile using a polarizable force field.

Berthin R, Serva A, Reeves KG, Heid E, Schröder C, Salanne M. Berthin R, et al. Among authors: reeves kg. J Chem Phys. 2021 Aug 21;155(7):074504. doi: 10.1063/5.0061891. J Chem Phys. 2021. PMID: 34418918

4

Multi-scale simulation of the adsorption of lithium ion on graphite surface: From quantum Monte Carlo to molecular density functional theory.

Ruggeri M, Reeves K, Hsu TY, Jeanmairet G, Salanne M, Pierleoni C. Ruggeri M, et al. J Chem Phys. 2022 Mar 7;156(9):094709. doi: 10.1063/5.0082944. J Chem Phys. 2022. PMID: 35259900

5

A semiclassical Thomas-Fermi model to tune the metallicity of electrodes in molecular simulations.

Scalfi L, Dufils T, Reeves KG, Rotenberg B, Salanne M. Scalfi L, et al. Among authors: reeves kg. J Chem Phys. 2020 Nov 7;153(17):174704. doi: 10.1063/5.0028232. J Chem Phys. 2020. PMID: 33167657

6

A first-principles computational comparison of defect-free and disordered, fluorinated anatase TiO₂ (001) interfaces with water.

Reeves KG, Dambournet D, Laberty-Robert C, Vuilleumier R, Salanne M. Reeves KG, et al. RSC Adv. 2020 Mar 2;10(15):8982-8988. doi: 10.1039/c9ra10415a. eCollection 2020 Feb 27. RSC Adv. 2020. PMID: 35496548 Free PMC article.

7

Theoretical oxidation state analysis of Ru-(bpy)3: influence of water solvation and Hubbard correction in first-principles calculations.

Reeves KG, Kanai Y. Reeves KG, et al. J Chem Phys. 2014 Jul 14;141(2):024305. doi: 10.1063/1.4886406. J Chem Phys. 2014. PMID: 25028017

8

Diffusion quantum Monte Carlo study of martensitic phase transition energetics: The case of phosphorene.

Reeves KG, Yao Y, Kanai Y. Reeves KG, et al. J Chem Phys. 2016 Sep 28;145(12):124705. doi: 10.1063/1.4962759. J Chem Phys. 2016. PMID: 27782656

9

Role of Surface Termination on Hot Electron Relaxation in Silicon Quantum Dots: A First-Principles Dynamics Simulation Study.

Reeves KG, Schleife A, Correa AA, Kanai Y. Reeves KG, et al. Nano Lett. 2015 Oct 14;15(10):6429-33. doi: 10.1021/acs.nanolett.5b01707. Epub 2015 Sep 11. Nano Lett. 2015. PMID: 26331672

10

Electronic Excitation Dynamics in Liquid Water under Proton Irradiation.

Reeves KG, Kanai Y. Reeves KG, et al. Sci Rep. 2017 Jan 13;7:40379. doi: 10.1038/srep40379. Sci Rep. 2017. PMID: 28084420 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

11 results

Search Page

Filters