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  • Currently displaying 1 - 20 of 212 publications
First-Principles Simulation of Anharmonic and Anisotropic Vibrations of Glycinate on Copper.
AD Ievins, M Sacchi, SJ Jenkins
– ACS Omega
(2025)
10,
7422
Role of radicals in the reaction of oxygen difluoride with monohydrogenated silicon
H Thake, SJ Jenkins
– Physical Chemistry Chemical Physics
(2025)
27,
660
Role of radicals in the reaction of oxygen difluoride with monohydrogenated silicon
H Thake, SJ Jenkins
– Physical Chemistry Chemical Physics
(2025)
27,
660
Chemical Softness in Aromatic Adsorption: Benzene, Nitrobenzene and Anisole on Pt{111}.
AL Gunton, SJ Jenkins
– J Phys Chem A
(2024)
128,
6296
Interchange of Weyl Points in the Phonon Bands of a Half-Metal Alloy
SJ Jenkins, GP Srivastava
– Physical Review B
(2024)
109,
085140
Code supporting "Interchange of Weyl Points in the Phonon Bands of a Half-Metal Alloy"
S Jenkins
(2024)
Configuration of ammonia on Cu{311}: Infrared spectroscopy and first-principles theory
K Sitathani, I Temprano, SJ Jenkins
– Journal of Chemical Physics
(2024)
160,
054703
Configuration of ammonia on Cu{311}: Infrared spectroscopy and first-principles theory
K Sitathani, I Temprano, SJ Jenkins
– The Journal of Chemical Physics
(2024)
160,
Dynamic Diastereomerism on Chiral Surfaces
SC Matysik, DJ Wales, SJ Jenkins
– The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter
(2022)
127,
229
First-Principles Dynamics of Fluorine Adsorption on Clean and Monohydrogenated Si{001}
IYH Wu, SJ Jenkins
– Langmuir : the ACS journal of surfaces and colloids
(2022)
38,
7256
The Dehydrogenation of Butane on Metal-Free Graphene
S Jenkins, A Brooks, M Sacchi, J McGregor, S Wrabetz
– Journal of Colloid and Interface Science
(2022)
619,
377
Partial reduction of NO to N2O on Cu{311}: role of intermediate N2O2
I Temprano Farina, K Sitathani, S Jenkins
– Catalysis Science and Technology
(2022)
12,
2793
Partial reduction of NO to N2O on Cu{311}: role of intermediate N2O2
K Sitathani, SJ Jenkins, I Temprano
– Catalysis Science & Technology
(2022)
12,
2793
Rotational Dynamics of Desorption: Methane and Ethane at Stepped and Kinked Platinum Surfaces
SC Matysik, DJ Wales, SJ Jenkins
– The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter
(2021)
125,
27938
Motion of water monomers reveals a kinetic barrier to ice nucleation on graphene (vol 12, pg 3120, 2021)
A Tamtögl, E Bahn, M Sacchi, J Zhu, DJ Ward, AP Jardine, SJ Jenkins, P Fouquet, J Ellis, W Allison
– Nat Commun
(2021)
12,
6828
Motion of water monomers reveals a kinetic barrier to ice nucleation on graphene.
A Tamtögl, E Bahn, M Sacchi, J Zhu, DJ Ward, AP Jardine, SJ Jenkins, P Fouquet, J Ellis, W Allison
– Nat Commun
(2021)
12,
3120
Comparative study of single-atom gold and iridium on CeO2{111}
CJ Owen, SJ Jenkins
– Journal of Chemical Physics
(2021)
154,
164703
Surface Chirality Influences Molecular Rotation upon Desorption.
SC Matysik, DJ Wales, SJ Jenkins
– Phys Rev Lett
(2021)
126,
166101
2D constraint modifies packing behaviour: a halobenzene monolayer with X3 halogen-bonding motif
JA Davidson, SJ Jenkins, F Gorrec, SM Clarke
– Molecular Physics
(2021)
119,
e1900940
|Halogen Bonding in Bicomponent Monolayers: Self-Assembly of a Homologous Series of Iodinated Perfluoroalkanes with Bipyridine
JA Davidson, M Sacchi, F Gorrec, SM Clarke, SJ Jenkins
– Langmuir : the ACS journal of surfaces and colloids
(2021)
37,
627