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- Currently displaying 61 - 80 of 207 publications
Bond-selective energy redistribution in the chemisorption of CH 3D and CD 3H on Pt{110}-(1×2): 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
– J Am Chem Soc
(2012)
134,
9615
(doi: 10.1021/ja210499m)
Microcalorimetry of oxygen adsorption on fcc Co{110}
– Physical Chemistry Chemical Physics
(2012)
14,
7528
(doi: 10.1039/c2cp40549k)
The interaction of iron pyrite with oxygen, nitrogen and nitrogen oxides: A first-principles study
– Physical Chemistry Chemical Physics
(2012)
14,
3627
(doi: 10.1039/c2cp23558g)
Atomic Structure of a Monolayer of Ge on Si(001)(2 × 1)
– Surface Review and Letters
(2012)
5,
97
(doi: 10.1142/S0218625X98000207)
Atomic structure of the GaAs(001)-beta 2(2 x 4) surface
– Surface Review and Letters
(2012)
5,
219
(doi: 10.1142/S0218625X98000402)
DENSITY FUNCTIONAL AND QUASIPARTICLE CALCULATIONS ON THE GaAs(110) SURFACE
– Surface Review and Letters
(2012)
1,
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 × 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-C 5H5 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)
– Physical review letters
(2011)
106,
186101
Adsorbate modification of the structural, electronic, and magnetic properties of ferromagnetic fcc {110} surfaces
– Physical Review B
(2011)
83,
115403
(doi: 10.1103/physrevb.83.115403)
Hydrogenation of N over Fe{111}.
– Proc Natl Acad Sci U S A
(2010)
108,
925
(doi: 10.1073/pnas.1006634107)
Theory of gold on ceria.
– Physical Chemistry Chemical Physics
(2010)
13,
22
(doi: 10.1039/c0cp01123a)
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
– Journal of physics. Condensed matter : an Institute of Physics journal
(2010)
22,
135007
Hydrogen on graphene under stress: Molecular dissociation and gap opening
– Physical Review B - Condensed Matter and Materials Physics
(2010)
81,
075425
(doi: 10.1103/physrevb.81.075425)
Positive Charge States and Possible Polymorphism of Gold Nanoclusters on Reduced Ceria
– Journal of the American Chemical Society
(2010)
132,
2175
(doi: 10.1021/ja906687f)