Boero M - Search Results

1

Synthesis and Characterization of Non-Isolated-Pentagon-Rule Actinide Endohedral Metallofullerenes U@ C₁(17418)-C₇₆, U@ C₁(28324)-C₈₀, and Th@ C₁(28324)-C₈₀: Low-Symmetry Cage Selection Directed by a Tetravalent Ion.

Cai W, Abella L, Zhuang J, Zhang X, Feng L, Wang Y, Morales-Martínez R, Esper R, Boero M, Metta-Magaña A, Rodríguez-Fortea A, Poblet JM, Echegoyen L, Chen N. Cai W, et al. Among authors: boero m. J Am Chem Soc. 2018 Dec 26;140(51):18039-18050. doi: 10.1021/jacs.8b10435. Epub 2018 Dec 4. J Am Chem Soc. 2018. PMID: 30453733

2

Exohedral M-C60 and M2-C60 (M = Pt, Pd) systems as tunable-gap building blocks for nanoarchitecture and nanocatalysis.

Özdamar B, Boero M, Massobrio C, Felder-Flesch D, Le Roux S. Özdamar B, et al. Among authors: boero m. J Chem Phys. 2015 Sep 21;143(11):114308. doi: 10.1063/1.4930264. J Chem Phys. 2015. PMID: 26395706

3

The structure of liquid GeSe revisited: a first principles molecular dynamics study.

Le Roux S, Bouzid A, Boero M, Massobrio C. Le Roux S, et al. Among authors: boero m. J Chem Phys. 2013 May 7;138(17):174505. doi: 10.1063/1.4803115. J Chem Phys. 2013. PMID: 23656142

4

Origin of structural analogies and differences between the atomic structures of GeSe4 and GeS4 glasses: A first principles study.

Bouzid A, Le Roux S, Ori G, Boero M, Massobrio C. Bouzid A, et al. Among authors: boero m. J Chem Phys. 2015 Jul 21;143(3):034504. doi: 10.1063/1.4926830. J Chem Phys. 2015. PMID: 26203033

5

Role of van der Waals corrections in first principles simulations of alkali metal ions in aqueous solutions.

Ikeda T, Boero M. Ikeda T, et al. Among authors: boero m. J Chem Phys. 2015 Nov 21;143(19):194510. doi: 10.1063/1.4935932. J Chem Phys. 2015. PMID: 26590545

6

First-Principles Study of Dissociation Processes for the Synthesis of Fe and Co Oxide Nanoparticles.

Özdamar B, Bouzid A, Ori G, Massobrio C, Boero M. Özdamar B, et al. Among authors: boero m. J Chem Theory Comput. 2018 Jan 9;14(1):225-235. doi: 10.1021/acs.jctc.7b00869. Epub 2017 Dec 20. J Chem Theory Comput. 2018. PMID: 29206461

7

Thermal resistance of an interfacial molecular layer by first-principles molecular dynamics.

Duong TQ, Massobrio C, Ori G, Boero M, Martin E. Duong TQ, et al. Among authors: boero m. J Chem Phys. 2020 Aug 21;153(7):074704. doi: 10.1063/5.0014232. J Chem Phys. 2020. PMID: 32828112

8

Assessing the thermal conductivity of amorphous SiN by approach-to-equilibrium molecular dynamics.

Lambrecht A, Ori G, Massobrio C, Boero M, Martin E; ADynMat consortium. Lambrecht A, et al. Among authors: boero m. J Chem Phys. 2024 Mar 7;160(9):094505. doi: 10.1063/5.0193566. J Chem Phys. 2024. PMID: 38441267

9

Thermal conductivity of glassy GeTe₄ by first-principles molecular dynamics.

Bouzid A, Zaoui H, Luca Palla P, Ori G, Boero M, Massobrio C, Cleri F, Lampin E. Bouzid A, et al. Among authors: boero m. Phys Chem Chem Phys. 2017 Apr 12;19(15):9729-9732. doi: 10.1039/c7cp01063j. Phys Chem Chem Phys. 2017. PMID: 28352904

10

Structural, dynamical, and electronic properties of the ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide.

Ishisone K, Ori G, Boero M. Ishisone K, et al. Among authors: boero m. Phys Chem Chem Phys. 2022 Apr 20;24(16):9597-9607. doi: 10.1039/d2cp00741j. Phys Chem Chem Phys. 2022. PMID: 35403652

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