مقاله‌های دارای تعهدات انتشار عمومی - David Quigleyبیشتر بدانید
جای دیگری دردسترس نیست: یک
Derivation of an accurate force-field for simulating the growth of calcium carbonate from aqueous solution: A new model for the calcite− Water interface
P Raiteri, JD Gale, D Quigley, PM Rodger
The Journal of Physical Chemistry C 114 (13), 5997-6010, 2010
تعهدات: US National Institutes of Health
جای دیگری دردسترس است: ۳۰
Nucleation of NaCl from aqueous solution: critical sizes, ion-attachment kinetics, and rates
NER Zimmermann, B Vorselaars, D Quigley, B Peters
Journal of the American Chemical Society 137 (41), 13352–13361, 2015
تعهدات: UK Engineering and Physical Sciences Research Council
Exploring the influence of organic species on pre-and post-nucleation calcium carbonate
P Raiteri, R Demichelis, JD Gale, M Kellermeier, D Gebauer, D Quigley, ...
Faraday Discussions, 2012
تعهدات: US National Institutes of Health
Single-Atom Scale Structural Selectivity in Te Nanowires Encapsulated inside Ultra-Narrow, Single-Walled Carbon Nanotubes
PVC Medeiros, S Marks, JM Wynn, A Vasylenko, QM Ramasse, D Quigley, ...
ACS Nano, 2017
تعهدات: UK Engineering and Physical Sciences Research Council
NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates
N Zimmermann, B Vorselaars, JR Espinosa, D Quigley, WR Smith, E Sanz, ...
The Journal of chemical physics 148 (22), 2018
تعهدات: US Department of Energy, Natural Sciences and Engineering Research Council …
Effect of oxygen and nitrogen functionalization on the physical and electronic structure of graphene
AJ Marsden, P Brommer, JJ Mudd, MA Dyson, R Cook, M Asensio, J Avila, ...
Nano Research 8, 2620-2635, 2015
تعهدات: UK Engineering and Physical Sciences Research Council
Communication: On the stability of ice 0, ice i, and Ih
D Quigley, D Alfè, B Slater
The Journal of Chemical Physics 141 (16), 2014
تعهدات: US Department of Energy, UK Engineering and Physical Sciences Research Council
Electronic Structure Control of Sub-nanometer 1D SnTe via Nanostructuring within Single-Walled Carbon Nanotubes
A Vasylenko, S Marks, JM Wynn, PVC Medeiros, QM Ramasse, AJ Morris, ...
ACS nano 12 (6), 6023-6031, 2018
تعهدات: UK Engineering and Physical Sciences Research Council
The seven deadly sins: When computing crystal nucleation rates, the devil is in the details
KE Blow, D Quigley, GC Sosso
The Journal of Chemical Physics 155, 040901, 2021
تعهدات: UK Engineering and Physical Sciences Research Council
Communication: Thermodynamics of stacking disorder in ice nuclei
D Quigley
The Journal of Chemical Physics 141 (12), 2014
تعهدات: UK Engineering and Physical Sciences Research Council
New Insight into the Stability of CaCO3 Surfaces and Nanoparticles via Molecular Simulation
AM Bano, PM Rodger, D Quigley
Langmuir 30 (25), 7513-7521, 2014
تعهدات: UK Engineering and Physical Sciences Research Council
Solid–liquid interfacial free energy of ice Ih, ice Ic, and ice 0 within a mono-atomic model of water via the capillary wave method
M Ambler, B Vorselaars, MP Allen, D Quigley
The Journal of Chemical Physics 146 (7), 074701, 2017
تعهدات: UK Engineering and Physical Sciences Research Council
Linear and Helical Cesium Iodide Atomic Chains in Ultranarrow Single-Walled Carbon Nanotubes: Impact on Optical Properties
RJ Kashtiban, MG Burdanova, A Vasylenko, J Wynn, PVC Medeiros, ...
ACS nano 15 (8), 13389-13398, 2021
تعهدات: UK Engineering and Physical Sciences Research Council
Lattice thermal conductivity of graphene nanostructures
M Saiz-Bretín, AV Malyshev, F Domínguez-Adame, D Quigley, RA Römer
Carbon 127, 64-69, 2018
تعهدات: Government of Spain
A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates
GJ Rees, SP Day, A Lari, AP Howes, D Iuga, MB Pitak, SJ Coles, ...
CrystEngComm 15 (43), 8823-8839, 2013
تعهدات: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
Nucleation barrier reconstruction via the seeding method in a lattice model with competing nucleation pathways
Y Lifanov, B Vorselaars, D Quigley
The Journal of Chemical Physics 145 (21), 211912, 2016
تعهدات: UK Engineering and Physical Sciences Research Council
Encapsulated Nanowires: Boosting Electronic Transport in Carbon Nanotubes
A Vasylenko, J Wynn, P Medeiros, AJ Morris, J Sloan, D Quigley
Physical Review B 95 (12), 121408(R), 2017
تعهدات: UK Engineering and Physical Sciences Research Council
Testing the transferability of a coarse-grained model to intrinsically disordered proteins
GO Rutter, AH Brown, D Quigley, TR Walsh, MP Allen
Physical Chemistry Chemical Physics 17, 31741 - 31749, 2015
تعهدات: UK Engineering and Physical Sciences Research Council
Automated effective band structures for defective and mismatched supercells
P Brommer, D Quigley
Journal of Physics: Condensed Matter 26 (48), 485501, 2014
تعهدات: UK Engineering and Physical Sciences Research Council
How does an amorphous surface influence molecular binding?–ovocleidin-17 and amorphous calcium carbonate
CL Freeman, JH Harding, D Quigley, PM Rodger
Physical Chemistry Chemical Physics 17 (26), 17494-17500, 2015
تعهدات: UK Engineering and Physical Sciences Research Council
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