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Items: 7

1.

Theoretical insights into inorganic-organic intercalation products of the layered perovskite HLaNb2O7: perspectives for hybrid proton conductors.

Di Tommaso S, Giannici F, Mossuto Marculescu A, Chiara A, Tealdi C, Martorana A, Labat F, Adamo C.

Phys Chem Chem Phys. 2019 Jul 31;21(30):16647-16657. doi: 10.1039/c9cp02043h.

PMID:
31317145
2.

Defect interaction and local structural distortions in Mg-doped LaGaO3: A combined experimental and theoretical study.

Gambino M, Di Tommaso S, Giannici F, Longo A, Adamo C, Labat F, Martorana A.

J Chem Phys. 2017 Oct 14;147(14):144702. doi: 10.1063/1.4993705.

PMID:
29031272
3.

Theoretical approaches for predicting the color of rigid dyes in solution.

Di Tommaso S, Bousquet D, Moulin D, Baltenneck F, Riva P, David H, Fadli A, Gomar J, Ciofini I, Adamo C.

J Comput Chem. 2017 May 15;38(13):998-1004. doi: 10.1002/jcc.24774. Epub 2017 Mar 10.

PMID:
28294374
4.

Toward tailorable surfaces: a combined theoretical and experimental study of lanthanum niobate layered perovskites.

Di Tommaso S, Giannici F, Mossuto Marculescu A, Martorana A, Adamo C, Labat F.

J Chem Phys. 2014 Jul 14;141(2):024704. doi: 10.1063/1.4886338.

PMID:
25028035
5.

Oxidation mechanism of aliphatic ethers: theoretical insights on the main reaction channels.

Di Tommaso S, Rotureau P, Adamo C.

J Phys Chem A. 2012 Sep 13;116(36):9010-9. doi: 10.1021/jp300356v. Epub 2012 Aug 30.

PMID:
22799530
6.

Oxidation mechanism of diethyl ether: a complex process for a simple molecule.

Di Tommaso S, Rotureau P, Crescenzi O, Adamo C.

Phys Chem Chem Phys. 2011 Aug 28;13(32):14636-45. doi: 10.1039/c1cp21357a. Epub 2011 Jul 7.

PMID:
21735019
7.

Computational study of alkynes insertion into metal-hydride bonds catalyzed by bimetallic complexes.

Di Tommaso S, Tognetti V, Sicilia E, Adamo C, Russo N.

Inorg Chem. 2010 Nov 1;49(21):9875-83. doi: 10.1021/ic100850f.

PMID:
20883042

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