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- Currently displaying 61 - 80 of 252 publications
Promoting transparency and reproducibility in enhanced molecular simulations
– Nat Methods
(2019)
16,
670
(doi: 10.1038/s41592-019-0506-8)
Strain Relief during Ice Growth on a Hexagonal Template.
– Journal of the American Chemical Society
(2019)
141,
8599
(doi: 10.1021/jacs.9b03311)
Anomalously Low Barrier for Water Dimer Diffusion on Cu(111)
– Nano Letters
(2019)
19,
3049
(doi: 10.1021/acs.nanolett.9b00392)
Carbon Monoxide Mediated Hydrogen Release from PtCu Single-Atom Alloys: The Punctured Molecular Cork Effect
– Journal of Physical Chemistry C
(2019)
123,
10419
(doi: 10.1021/acs.jpcc.9b01213)
The quantum nature of hydrogen
– International Reviews in Physical Chemistry
(2019)
38,
35
Surface premelting of water ice
– Nature Reviews Chemistry
(2019)
3,
172
(doi: 10.1038/s41570-019-0080-8)
Ice is born in low-mobility regions of supercooled liquid water.
– Proc Natl Acad Sci U S A
(2019)
116,
2009
(doi: 10.1073/pnas.1817135116)
Adsorption Behavior of Organic Molecules: A Study of Benzotriazole on Cu(111) with Spectroscopic and Theoretical Methods
– Langmuir
(2019)
35,
882
(doi: 10.1021/acs.langmuir.8b03528)
Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods.
– Journal of Physical Chemistry Letters
(2019)
10,
358
(doi: 10.1021/acs.jpclett.8b03679)
Lonely Atoms with Special Gifts: Breaking Linear Scaling Relationships in Heterogeneous Catalysis with Single-Atom Alloys
– Journal of Physical Chemistry Letters
(2018)
9,
5636
(doi: 10.1021/acs.jpclett.8b01888)
Unravelling the origins of ice nucleation on organic crystals.
– Chem Sci
(2018)
9,
8077
(doi: 10.1039/c8sc02753f)
Visualization of Water-Induced Surface Segregation of Polarons on Rutile TiO2(110)
– Journal of Physical Chemistry Letters
(2018)
9,
4865
(doi: 10.1021/acs.jpclett.8b01904)
One‐Dimensional Arsenic Allotropes: Polymerization of Yellow Arsenic Inside Single‐Wall Carbon Nanotubes
– Angewandte Chemie
(2018)
130,
11823
(doi: 10.1002/ange.201805856)
One-Dimensional Arsenic Allotropes: Polymerization of Yellow Arsenic Inside Single-Wall Carbon Nanotubes
– Angewandte Chemie International Edition
(2018)
57,
11649
(doi: 10.1002/anie.201805856)
Chirality at two-dimensional surfaces: A perspective from small molecule alcohol assembly on Au(111)
– The Journal of chemical physics
(2018)
149,
034703
(doi: 10.1063/1.5035500)
Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces.
– The Journal of Chemical Physics
(2018)
149,
072327
(doi: 10.1063/1.5029336)
Elucidating the Stability and Reactivity of Surface Intermediates on Single-Atom Alloy Catalysts
– ACS Catalysis
(2018)
8,
5038
(doi: 10.1021/acscatal.8b00881)
Formation of Methane Hydrate in the Presence of Natural and Synthetic Nanoparticles.
– Journal of the American Chemical Society
(2018)
140,
3277
(doi: 10.1021/jacs.7b12050)
Fast and accurate quantum Monte Carlo for molecular crystals
– Proceedings of the National Academy of Sciences of the United States of America
(2018)
115,
1724
(doi: 10.1073/pnas.1715434115)