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Items: 1 to 20 of 127

1.

Hydrogen evolution on single-crystal copper and silver: a theoretical study.

Santos E, Pötting K, Lundin A, Quaino P, Schmickler W.

Chemphyschem. 2010 May 17;11(7):1491-5. doi: 10.1002/cphc.200900808.

PMID:
20101665
2.

Density functional theory study of the adsorption of alkanethiols on Cu(111), Ag(111), and Au(111) in the low and high coverage regimes.

Cometto FP, Paredes-Olivera P, Macagno VA, Patrito EM.

J Phys Chem B. 2005 Nov 24;109(46):21737-48.

PMID:
16853824
3.

Ab initio studies of Ag-S bond formation during the adsorption of L-cysteine on Ag(111).

Luque NB, Santos E.

Langmuir. 2012 Aug 7;28(31):11472-80. doi: 10.1021/la302376w. Epub 2012 Jul 27.

PMID:
22799749
4.

Adsorption of atoms on cu surfaces: a density functional theory study.

Pang XY, Xue LQ, Wang GC.

Langmuir. 2007 Apr 24;23(9):4910-7. Epub 2007 Mar 28.

PMID:
17388612
5.

Hydrogen evolution reaction catalyzed by proton-coupled redox cycle of 4,4'-bipyridine monolayer adsorbed on silver electrodes.

Uchida T, Mogami H, Yamakata A, Sasaki Y, Osawa M.

J Am Chem Soc. 2008 Aug 20;130(33):10862-3. doi: 10.1021/ja803446s. Epub 2008 Jul 29.

PMID:
18661991
6.

A theoretical study of a ZnO graphene analogue: adsorption on Ag(111) and hydrogen transport.

Demiroglu I, Stradi D, Illas F, Bromley ST.

J Phys Condens Matter. 2011 Aug 24;23(33):334215. doi: 10.1088/0953-8984/23/33/334215. Epub 2011 Aug 3.

PMID:
21813949
7.

Similarities and differences on the molecular mechanism of CO oxidation on Rh(111) and bimetallic RhCu(111) surfaces.

González S, Sousa C, Illas F.

Phys Chem Chem Phys. 2007 Jun 14;9(22):2877-85. Epub 2007 Apr 10.

PMID:
17538733
8.

Direct and indirect electron transfer at a semiconductor surface with an adsorbate: theory and application to Ag3Si(111):H.

Leathers AS, Micha DA, Kilin DS.

J Chem Phys. 2010 Mar 21;132(11):114702. doi: 10.1063/1.3359433.

PMID:
20331311
9.

Displacement of Cu(II) by Ag(I) in solvated metal sulfides. A DFT and AIM computational study.

Kramer JR, Werstiuk NH, Ni B.

J Phys Chem A. 2006 Jan 12;110(1):273-80.

PMID:
16392865
10.

Bridging the gap between nanoparticles and single crystal surfaces.

Kaghazchi P, Simeone FC, Soliman KA, Kibler LA, Jacob T.

Faraday Discuss. 2008;140:69-80; discussion 93-112.

PMID:
19213311
11.

D-alaninol adsorption on Cu(100): photoelectron spectroscopy and first-principles calculations.

Gori P, Contini G, Prosperi T, Catone D, Turchini S, Zema N, Palma A.

J Phys Chem B. 2008 Apr 3;112(13):3963-70. doi: 10.1021/jp710646a. Epub 2008 Mar 8.

PMID:
18327933
12.

Mechanisms for chemical transformations of (R,R)-tartaric acid on Cu(110): A first principles study.

Zhang J, Lu T, Jiang C, Zou J, Cao F, Chen Y.

J Chem Phys. 2009 Oct 14;131(14):144703. doi: 10.1063/1.3247188.

PMID:
19831460
13.
14.

Theoretical differential Raman scattering cross-sections of totally-symmetric vibrational modes of free pyridine and pyridine-metal cluster complexes.

Wu DY, Hayashi M, Lin SH, Tian ZQ.

Spectrochim Acta A Mol Biomol Spectrosc. 2004 Jan;60(1-2):137-46.

PMID:
14670470
15.

Probing conformers and adsorption footprints at the single-molecule level in a highly organized amino acid assembly of (S)-proline on Cu(110).

Forster M, Dyer MS, Persson M, Raval R.

J Am Chem Soc. 2009 Jul 29;131(29):10173-81. doi: 10.1021/ja9020364.

PMID:
19580280
16.

Surface Pourbaix diagrams and oxygen reduction activity of Pt, Ag and Ni(111) surfaces studied by DFT.

Hansen HA, Rossmeisl J, Nørskov JK.

Phys Chem Chem Phys. 2008 Jul 7;10(25):3722-30. doi: 10.1039/b803956a. Epub 2008 May 27.

PMID:
18563233
17.

Adsorption and reactions of ClCH2CH2OH on clean and oxygen-precovered Cu(100): experimental and computational studies.

Fu TW, Liao YH, Chen CY, Chang PT, Wang CY, Lin JL.

J Phys Chem B. 2005 Oct 13;109(40):18921-8.

PMID:
16853436
18.

Ab initio study of water interaction with a Cu surface.

Belonoshko AB, Rosengren A.

Langmuir. 2010 Nov 2;26(21):16267-70. doi: 10.1021/la101374r.

PMID:
20804187
19.

NO dissociation on Cu(111) and Cu2O(111) surfaces: a density functional theory based study.

Padama AA, Kishi H, Arevalo RL, Moreno JL, Kasai H, Taniguchi M, Uenishi M, Tanaka H, Nishihata Y.

J Phys Condens Matter. 2012 May 2;24(17):175005. doi: 10.1088/0953-8984/24/17/175005. Epub 2012 Apr 5.

PMID:
22481123
20.

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