Baerends EJ - Search Results

1

Diffractive and reactive scattering of H2 from Ru(0001): experimental and theoretical study.

Nieto P, Farías D, Miranda R, Luppi M, Baerends EJ, Somers MF, van der Niet MJ, Olsen RA, Kroes GJ. Nieto P, et al. Among authors: baerends ej. Phys Chem Chem Phys. 2011 May 14;13(18):8583-97. doi: 10.1039/c0cp02425b. Epub 2011 Apr 12. Phys Chem Chem Phys. 2011. PMID: 21487588

2

Six-dimensional potential energy surface for H2 at Ru(0001).

Luppi M, Olsen RA, Baerends EJ. Luppi M, et al. Among authors: baerends ej. Phys Chem Chem Phys. 2006 Feb 14;8(6):688-96. doi: 10.1039/b513033f. Epub 2005 Nov 24. Phys Chem Chem Phys. 2006. PMID: 16482308

3

Rotational effects in the dissociative adsorption of H2 on the Pt211 stepped surface.

Luppi M, McCormack DA, Olsen RA, Baerends EJ. Luppi M, et al. Among authors: baerends ej. J Chem Phys. 2005 Oct 22;123(16):164702. doi: 10.1063/1.2087467. J Chem Phys. 2005. PMID: 16268717

4

Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Ru(0001).

Vincent JK, Olsen RA, Kroes GJ, Luppi M, Baerends EJ. Vincent JK, et al. Among authors: baerends ej. J Chem Phys. 2005 Jan 22;122(4):44701. doi: 10.1063/1.1834914. J Chem Phys. 2005. PMID: 15740277

5

Reactive and nonreactive scattering of H2 from a metal surface is electronically adiabatic.

Nieto P, Pijper E, Barredo D, Laurent G, Olsen RA, Baerends EJ, Kroes GJ, Farías D. Nieto P, et al. Among authors: baerends ej. Science. 2006 Apr 7;312(5770):86-9. doi: 10.1126/science.1123057. Epub 2006 Feb 9. Science. 2006. PMID: 16469880

6

Reactive scattering of H2 from Cu(100): six-dimensional quantum dynamics results for reaction and scattering obtained with a new, accurately fitted potential-energy surface.

Somers MF, Olsen RA, Busnengo HF, Baerends EJ, Kroes GJ. Somers MF, et al. Among authors: baerends ej. J Chem Phys. 2004 Dec 8;121(22):11379-87. doi: 10.1063/1.1812743. J Chem Phys. 2004. PMID: 15634096

7

Six-dimensional quantum dynamics of H2 dissociative adsorption on the Pt(211) stepped surface.

Olsen RA, McCormack DA, Luppi M, Baerends EJ. Olsen RA, et al. Among authors: baerends ej. J Chem Phys. 2008 May 21;128(19):194715. doi: 10.1063/1.2920488. J Chem Phys. 2008. PMID: 18500894

8

Mechanisms of H2 dissociative adsorption on the Pt(211) stepped surface.

McCormack DA, Olsen RA, Baerends EJ. McCormack DA, et al. Among authors: baerends ej. J Chem Phys. 2005 May 15;122(19):194708. doi: 10.1063/1.1900087. J Chem Phys. 2005. PMID: 16161607

9

Adsorption and diffusion on a stepped surface: atomic hydrogen on Pt(211).

Olsen RA, Bădescu SC, Ying SC, Baerends EJ. Olsen RA, et al. Among authors: baerends ej. J Chem Phys. 2004 Jun 22;120(24):11852-63. doi: 10.1063/1.1755664. J Chem Phys. 2004. PMID: 15268219

10

A new analytical potential energy surface for the adsorption system CO/Cu(100).

Marquardt R, Cuvelier F, Olsen RA, Baerends EJ, Tremblay JC, Saalfrank P. Marquardt R, et al. Among authors: baerends ej. J Chem Phys. 2010 Feb 21;132(7):074108. doi: 10.1063/1.3308481. J Chem Phys. 2010. PMID: 20170216

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