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- Currently displaying 61 - 80 of 199 publications
Quantum Influences in the Diffusive Motion of Pyrrole on Cu(111)
Angewandte Chemie
(2013)
125
5189
(doi: 10.1002/ange.201208868)
Single-crystal adsorption calorimetry and density functional theory of CO chemisorption on fcc Co{110}
Physical Chemistry Chemical Physics
(2013)
15
4059
(doi: 10.1039/c3cp43836h)
Mode-specificity and transition state-specific energy redistribution in the chemisorption of CH 4 on Ni{100}
Phys Chem Chem Phys
(2012)
14
15879
(doi: 10.1039/c2cp42345f)
Nitrogen adsorption and desorption at iron pyrite FeS2{100} surfaces
Physical Chemistry Chemical Physics
(2012)
14
11491
(doi: 10.1039/c2cp41549f)
Bond-selective energy redistribution in the chemisorption of CH3D and CD3H on Pt{110)-(1 x 2): A first-principles molecular dynamics study
Computational and Theoretical Chemistry
(2012)
990
144
(doi: 10.1016/j.comptc.2011.11.048)
The importance of attractive three-point interaction in enantioselective surface chemistry: stereospecific adsorption of serine on the intrinsically chiral Cu{531} surface.
Journal of the American Chemical Society
(2012)
134
9615
(doi: 10.1021/ja210499m)
Microcalorimetry of oxygen adsorption on fcc Co{110}
Phys Chem Chem Phys
(2012)
14
7528
(doi: 10.1039/c2cp40549k)
The interaction of iron pyrite with oxygen, nitrogen and nitrogen oxides: A first-principles study
Phys Chem Chem Phys
(2012)
14
3627
(doi: 10.1039/c2cp23558g)
DENSITY FUNCTIONAL AND QUASIPARTICLE CALCULATIONS ON THE GaAs(110) SURFACE
Surface Review and Letters
(2012)
01
473
(doi: 10.1142/s0218625x94000461)
Chiral Surface Chemistry and Catalysis Preface
Topics in Catalysis
(2011)
54
1331
(doi: 10.1007/s11244-011-9767-x)
Mode-Specific Chemisorption of CH4 on Pt{110}-(1 x 2) Explored by First-Principles Molecular Dynamics
The Journal of Physical Chemistry C
(2011)
115
21832
(doi: 10.1021/jp207746q)
Dissociative Chemisorption of Hydrazine on an Fe{211} Surface
Journal of Physical Chemistry C
(2011)
115
17812
(doi: 10.1021/jp202155w)
Electronic Structure and Bonding of an Ionic Molecular Adsorbate: c-C5H5 on Cu{111}
Journal of Physical Chemistry C
(2011)
115
16134
(doi: 10.1021/jp2049537)
Hydrogen on graphene under stress: Molecular dissociation and gap opening
(2011)
(doi: 10.48550/arxiv.1106.0385)
Weak Intermolecular Interactions in an Ionically Bound Molecular Adsorbate: Cyclopentadienyl/Cu(111)
Phys Rev Lett
(2011)
106
186101
Adsorbate modification of the structural, electronic, and magnetic properties of ferromagnetic fcc {110} surfaces
Physical Review B Condensed Matter and Materials Physics
(2011)
83
115403
(doi: 10.1103/PhysRevB.83.115403)
Hydrogenation of N over Fe{111}
Proceedings of the National Academy of Sciences of the United States of America
(2010)
108
925
(doi: 10.1073/pnas.1006634107)
Tilted elliptical Dirac cones at a half-metal surface
Physical Review B Condensed Matter and Materials Physics
(2010)
82
020403
(doi: 10.1103/physrevb.82.020403)
Surface stress in d-band metal surfaces.
J Phys Condens Matter
(2010)
22
135007
