Apra E - Search Results

1

Transformation of Au144(SCH2CH2Ph)60 to Au133(SPh-tBu)52 Nanomolecules: Theoretical and Experimental Study.

Nimmala PR, Theivendran S, Barcaro G, Sementa L, Kumara C, Jupally VR, Apra E, Stener M, Fortunelli A, Dass A. Nimmala PR, et al. Among authors: apra e. J Phys Chem Lett. 2015 Jun 4;6(11):2134-9. doi: 10.1021/acs.jpclett.5b00780. Epub 2015 May 27. J Phys Chem Lett. 2015. PMID: 26266515

2

Amorphization mechanism of icosahedral metal nanoclusters.

Aprà E, Baletto F, Ferrando R, Fortunelli A. Aprà E, et al. Phys Rev Lett. 2004 Aug 6;93(6):065502. doi: 10.1103/PhysRevLett.93.065502. Epub 2004 Aug 4. Phys Rev Lett. 2004. PMID: 15323642

3

Structure of Ag clusters Grown on Fs-Defect Sites of an MgO(1 0 0) surface.

Barcaro G, Aprà E, Fortunelli A. Barcaro G, et al. Among authors: apra e. Chemistry. 2007;13(22):6408-18. doi: 10.1002/chem.200601796. Chemistry. 2007. PMID: 17497620

4

A first-principles theoretical approach to heterogeneous nanocatalysis.

Negreiros FR, Aprà E, Barcaro G, Sementa L, Vajda S, Fortunelli A. Negreiros FR, et al. Among authors: apra e. Nanoscale. 2012 Feb 21;4(4):1208-19. doi: 10.1039/c1nr11051a. Epub 2011 Nov 7. Nanoscale. 2012. PMID: 22057595

5

Computational approaches to the chemical conversion of carbon dioxide.

Cheng D, Negreiros FR, Aprà E, Fortunelli A. Cheng D, et al. Among authors: apra e. ChemSusChem. 2013 Jun;6(6):944-65. doi: 10.1002/cssc.201200872. Epub 2013 May 28. ChemSusChem. 2013. PMID: 23716438 Review.

6

Benchmark theoretical study of the π-π binding energy in the benzene dimer.

Miliordos E, Aprà E, Xantheas SS. Miliordos E, et al. Among authors: apra e. J Phys Chem A. 2014 Sep 4;118(35):7568-78. doi: 10.1021/jp5024235. Epub 2014 May 5. J Phys Chem A. 2014. PMID: 24761749

7

Time-Domain Simulations of Transient Species in Experimentally Relevant Environments.

Ueltschi TW, Fischer SA, Aprà E, Tarnovsky AN, Govind N, El-Khoury PZ, Hess WP. Ueltschi TW, et al. Among authors: apra e. J Phys Chem A. 2016 Feb 4;120(4):556-61. doi: 10.1021/acs.jpca.5b11710. Epub 2016 Jan 21. J Phys Chem A. 2016. PMID: 26752240

8

Nonequilibrium Chemical Effects in Single-Molecule SERS Revealed by Ab Initio Molecular Dynamics Simulations.

Fischer SA, Aprà E, Govind N, Hess WP, El-Khoury PZ. Fischer SA, et al. Among authors: apra e. J Phys Chem A. 2017 Feb 16;121(6):1344-1350. doi: 10.1021/acs.jpca.6b12156. Epub 2017 Feb 7. J Phys Chem A. 2017. PMID: 28117998

9

Au₃₈(SPh)₂₄: Au₃₈ Protected with Aromatic Thiolate Ligands.

Rambukwella M, Burrage S, Neubrander M, Baseggio O, Aprà E, Stener M, Fortunelli A, Dass A. Rambukwella M, et al. Among authors: apra e. J Phys Chem Lett. 2017 Apr 6;8(7):1530-1537. doi: 10.1021/acs.jpclett.7b00193. Epub 2017 Mar 21. J Phys Chem Lett. 2017. PMID: 28323431 Free article.

10

Intense fluorescence of Au₂₀.

Yu C, Harbich W, Sementa L, Ghiringhelli L, Aprá E, Stener M, Fortunelli A, Brune H. Yu C, et al. Among authors: apra e. J Chem Phys. 2017 Aug 21;147(7):074301. doi: 10.1063/1.4996687. J Chem Phys. 2017. PMID: 28830181

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