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  • Currently displaying 61 - 80 of 201 publications
Author(s)
Publication title
Journal Name
Publication year
Left foot, right foot, other foot: Glycine and alanine on Cu{311}
DC Madden, I Temprano, M Sacchi, SM Driver, DA King, SJ Jenkins
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}
M Sacchi, DJ Wales, SJ Jenkins
Physical chemistry chemical physics : PCCP
(2012)
14
Nitrogen adsorption and desorption at iron pyrite FeS 2 {100} surfaces
T Liu, I Temprano, SJ Jenkins, DA King, SM Driver
Physical chemistry chemical physics : PCCP
(2012)
14
Bond-selective energy redistribution in the chemisorption of CH 3D and CD 3H on Pt{110}-(1×2): A first-principles molecular dynamics study
M Sacchi, DJ Wales, SJ Jenkins
Computational and Theoretical Chemistry
(2012)
990
The importance of attractive three-point interaction in enantioselective surface chemistry: Stereospecific adsorption of serine on the intrinsically chiral Cu{531} surface
T Eralp, A Ievins, A Shavorskiy, SJ Jenkins, G Held
J Am Chem Soc
(2012)
134
Microcalorimetry of oxygen adsorption on fcc Co{110}
K Liao, V Fiorin, SJ Jenkins, DA King
Physical chemistry chemical physics : PCCP
(2012)
14
The interaction of iron pyrite with oxygen, nitrogen and nitrogen oxides: a first-principles study.
M Sacchi, MCE Galbraith, SJ Jenkins
Physical chemistry chemical physics : PCCP
(2012)
14
Atomic structure of the GaAs(001)-β2(2 x 4) surface
GP Srivastava, SJ Jenkins
Surface Review and Letters
(2012)
05
DENSITY FUNCTIONAL AND QUASIPARTICLE CALCULATIONS ON THE GaAs(110) SURFACE
SJ JENKINS, GP SRIVASTAVA, JC INKSON
Surface Review and Letters
(2012)
1
Preface
SJ Jenkins
Topics in Catalysis
(2011)
54
Mode-specific chemisorption of CH4 on Pt{110}-(1 × 2) explored by first-principles molecular dynamics
M Sacchi, DJ Wales, SJ Jenkins
Journal of Physical Chemistry C
(2011)
115
Dissociative Chemisorption of Hydrazine on an Fe{211} Surface
HL McKay, SJ Jenkins, DJ Wales
Journal of Physical Chemistry C
(2011)
115
Electronic structure and bonding of an ionic molecular adsorbate: C-C 5H5 on Cu{111}
M Sacchi, SJ Jenkins, H Hedgeland, AP Jardine, BJ Hinch
Journal of Physical Chemistry C
(2011)
115
Hydrogen on graphene under stress: Molecular dissociation and gap opening
H McKay, DJ Wales, SJ Jenkins, JA Verges, PL de Andres
(2011)
Weak intermolecular interactions in an ionically bound molecular adsorbate: Cyclopentadienyl/Cu(111)
H Hedgeland, BAJ Lechner, FE Tuddenham, AP Jardine, W Allison, J Ellis, M Sacchi, SJ Jenkins, BJ Hinch
Phys Rev Lett
(2011)
106
Adsorbate modification of the structural, electronic, and magnetic properties of ferromagnetic fcc{110}surfaces
DSD Gunn, SJ Jenkins
Physical Review B
(2011)
83
Hydrogenation of N over Fe{111}
P Iyngaran, DC Madden, SJ Jenkins, DA King
Proc Natl Acad Sci U S A
(2010)
108
Theory of gold on ceria
C Zhang, A Michaelides, SJ Jenkins
Physical chemistry chemical physics : PCCP
(2010)
13
Tilted elliptical Dirac cones at a half-metal surface
SJ Jenkins
Physical Review B
(2010)
82
Surface stress in d-band metal surfaces.
M Blanco-Rey, SJ Jenkins
Journal of physics. Condensed matter : an Institute of Physics journal
(2010)
22