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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}
Phys Chem Chem Phys
(2013)
15
4059
(doi: 10.1039/c3cp43836h)
Left foot, right foot, other foot: Glycine and alanine on Cu{311}
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2013)
245
Mode-specificity and transition state-specific energy redistribution in the chemisorption of CH4 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 : PCCP
(2012)
14
11491
(doi: 10.1039/c2cp41549f)
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 : PCCP
(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)
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
The 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 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)
Theory of gold on ceria.
Physical chemistry chemical physics : PCCP
(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)
