Selloni A - Search Results

1

Competing mechanisms in the optically activated functionalization of the hydrogen-terminated Si(111) surface.

Kanai Y, Selloni A. Kanai Y, et al. Among authors: selloni a. J Am Chem Soc. 2006 Mar 29;128(12):3892-3. doi: 10.1021/ja058698+. J Am Chem Soc. 2006. PMID: 16551080

2

First-principles string molecular dynamics: an efficient approach for finding chemical reaction pathways.

Kanai Y, Tilocca A, Selloni A, Car R. Kanai Y, et al. Among authors: selloni a. J Chem Phys. 2004 Aug 22;121(8):3359-67. doi: 10.1063/1.1773159. J Chem Phys. 2004. PMID: 15303898

3

Surface reaction of alkynes and alkenes with H-Si(111): a density functional theory study.

Takeuchi N, Kanai Y, Selloni A. Takeuchi N, et al. Among authors: selloni a. J Am Chem Soc. 2004 Dec 8;126(48):15890-6. doi: 10.1021/ja046702w. J Am Chem Soc. 2004. PMID: 15571414

4

Density functional theory study of one-dimensional growth of styrene on the hydrogen-terminated Si(001)-(3 x 1) surface.

Takeuchi N, Selloni A. Takeuchi N, et al. Among authors: selloni a. J Phys Chem B. 2005 Jun 23;109(24):11967-72. doi: 10.1021/jp0507344. J Phys Chem B. 2005. PMID: 16852475

5

A theoretical study of biotin chemisorption on Si-SiC(001) surfaces.

Kanai Y, Cicero G, Selloni A, Car R, Galli G. Kanai Y, et al. Among authors: selloni a. J Phys Chem B. 2005 Jul 21;109(28):13656-62. doi: 10.1021/jp051360h. J Phys Chem B. 2005. PMID: 16852711

6

Role of molecular conjugation in the surface radical reaction of aldehydes with H-Si(111): first principles study.

Kanai Y, Takeuchi N, Car R, Selloni A. Kanai Y, et al. Among authors: selloni a. J Phys Chem B. 2005 Oct 13;109(40):18889-94. doi: 10.1021/jp0527610. J Phys Chem B. 2005. PMID: 16853431

7

Testing the TPSS meta-generalized-gradient-approximation exchange-correlation functional in calculations of transition states and reaction barriers.

Kanai Y, Wang X, Selloni A, Car R. Kanai Y, et al. Among authors: selloni a. J Chem Phys. 2006 Dec 21;125(23):234104. doi: 10.1063/1.2403861. J Chem Phys. 2006. PMID: 17190544

8

Small Au and Pt clusters at the anatase TiO2(101) surface: behavior at terraces, steps, and surface oxygen vacancies.

Gong XQ, Selloni A, Dulub O, Jacobson P, Diebold U. Gong XQ, et al. Among authors: selloni a. J Am Chem Soc. 2008 Jan 9;130(1):370-81. doi: 10.1021/ja0773148. Epub 2007 Dec 11. J Am Chem Soc. 2008. PMID: 18069837

9

Energetics and diffusion of intrinsic surface and subsurface defects on anatase TiO2(101).

Cheng H, Selloni A. Cheng H, et al. Among authors: selloni a. J Chem Phys. 2009 Aug 7;131(5):054703. doi: 10.1063/1.3194301. J Chem Phys. 2009. PMID: 19673581

10

Simulation of electrocatalytic hydrogen production by a bioinspired catalyst anchored to a pyrite electrode.

Zipoli F, Car R, Cohen MH, Selloni A. Zipoli F, et al. Among authors: selloni a. J Am Chem Soc. 2010 Jun 30;132(25):8593-601. doi: 10.1021/ja910694p. J Am Chem Soc. 2010. PMID: 20521790

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