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Jump to: Advantage West Midlands (AWM) | Australian Academy of Science | Australian Research Council (ARC) | Biotechnology and Biological Sciences Research Council (Great Britain) (BBSRC) | Engineering and Physical Sciences Research Council (EPSRC) | European Regional Development Fund (ERDF) | Joint Research Equipment Initiative (JREI) | National Science Foundation (U.S.) (NSF) | Seventh Framework Programme (European Commission) (FP7) | United States. Air Force. Office of Scientific Research (AFOSR) | United States. Department of Energy | University of Birmingham | University of Warwick
Number of items: 34.
Advantage West Midlands (AWM)
Rees, Gregory J., Day, Stephen Paul, Lari, Alberth, Howes, Andrew P., Iuga, Dinu, Pitak, Mateusz B., Coles, Simon J., Threlfall, Terry L., Light, Mark E., Smith, Mark E., Quigley, David, Wallis, John D. and Hanna, John V. (2013) A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates. CrystEngComm, Volume 15 (Number 43). pp. 8823-8839. doi:10.1039/c3ce41258j ISSN 1466-8033.
Australian Academy of Science
Rutter, Gil, Brown, Aaron H., Quigley, David, Walsh, Tiffany R. and Allen, M. P. (2015) Testing the transferability of a coarse-grained model to intrinsically disordered proteins. Physical Chemistry Chemical Physics, 17 (47). pp. 31741-31749. doi:10.1039/c5cp05652g ISSN 1463-9076.
Australian Research Council (ARC)
Demichelis, Raffaella, Raiteri, Paolo, Gale, Julian D., Quigley, David and Gebauer, Denis (2011) Stable prenucleation mineral clusters are liquid-like ionic polymers. Nature Communications, Vol.2 . Article no. 590. doi:10.1038/ncomms1604 ISSN 2041-1723.
Raiteri, P., Gale, Julian D., Quigley, David and Rodger, P. Mark (2010) Derivation of an accurate force-field for simulating the growth of calcium carbonate from aqueous solution : a new model for the calcite-water interface. Journal of Physical Chemistry C, Vol.114 (No.13). pp. 5997-6010. doi:10.1021/jp910977a ISSN 1932-7447.
Biotechnology and Biological Sciences Research Council (Great Britain) (BBSRC)
Rees, Gregory J., Day, Stephen Paul, Lari, Alberth, Howes, Andrew P., Iuga, Dinu, Pitak, Mateusz B., Coles, Simon J., Threlfall, Terry L., Light, Mark E., Smith, Mark E., Quigley, David, Wallis, John D. and Hanna, John V. (2013) A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates. CrystEngComm, Volume 15 (Number 43). pp. 8823-8839. doi:10.1039/c3ce41258j ISSN 1466-8033.
Engineering and Physical Sciences Research Council (EPSRC)
Medeiros, Paulo V. C., Marks, Samuel R., Wynn, Jamie M., Vasylenko, Andrij, Ramasse, Quentin M., Quigley, David, Sloan, Jeremy and Morris, Andrew J. (2017) Single-atom scale structural selectivity in Te nanowires encapsulated inside ultranarrow, single-walled carbon nanotubes. ACS Nano, 11 (6). pp. 6178-6185. doi:10.1021/acsnano.7b02225 ISSN 1936-0851.
Enstone, Gwilym, Brommer, Peter, Quigley, David and Bell, Gavin R. (2016) Enhancement of island size by dynamic substrate disorder in simulations of graphene growth. Physical Chemistry Chemical Physics, 18 . pp. 15102-15109. doi:10.1039/c6cp00788k ISSN 1463-9076.
Rutter, Gil, Brown, Aaron H., Quigley, David, Walsh, Tiffany R. and Allen, M. P. (2015) Testing the transferability of a coarse-grained model to intrinsically disordered proteins. Physical Chemistry Chemical Physics, 17 (47). pp. 31741-31749. doi:10.1039/c5cp05652g ISSN 1463-9076.
Zimmermann, Nils E. R., Vorselaars, Bart, Quigley, David and Peters, Baron (2015) Nucleation of NaCl from aqueous solution : critical sizes, ion-attachment kinetics, and rates. Journal of the American Chemical Society, 137 (41). pp. 13352-13361. doi:10.1021/jacs.5b08098 ISSN 0002-7863.
Marsden, Alexander J., Brommer, Peter, Mudd, James J., Dyson, Mark Adam, Cook, Robert M., Asensio, MariΜa, Avila, JosΓ©, Levy, Ana, Sloan, Jeremy, Quigley, David, Bell, Gavin R. and Wilson, Neil R. (2015) Effect of oxygen and nitrogen functionalization on the physical and electronic structure of graphene. Nano Research . pp. 1-16. doi:10.1007/s12274-015-0768-0 ISSN 1998-0124.
Freeman, Colin L., Harding, John H., Quigley, David and Rodge, P. Mark (2015) How does an amorphous surface influence molecular binding? β ovocleidin-17 and amorphous calcium carbonate. Physical Chemistry Chemical Physics, 17 (26). pp. 17494-17500. doi:10.1039/c5cp00434a ISSN 1463-9076.
Bridgwater, Sally and Quigley, David (2014) Lattice-switching Monte Carlo method for crystals of flexible molecules. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Volume 90 (Number 6). Article number 063313. doi:10.1103/PhysRevE.90.063313 ISSN 1539-3755.
Brommer, Peter and Quigley, David (2014) Automated effective band structures for defective and mismatched supercells. Journal of physics: condensed matter, Volume 26 (Number 48). Article number 3485501. doi:10.1088/0953-8984/26/48/485501 ISSN 0953-8984.
Quigley, David, Alfè, D. and Slater, Ben (2014) Communication : on the stability of ice 0, ice i, and Ih. The Journal of Chemical Physics, Volume 141 (Number 16). Article number 161102. doi:10.1063/1.4900772 ISSN 0021-9606.
Quigley, David (2014) Communication : thermodynamics of stacking disorder in ice nuclei. The Journal of Chemical Physics, 141 (12). 121101. doi:10.1063/1.4896376 ISSN 0021-9606.
Bano , Anthony M., Rodger , P. Mark and Quigley, David (2014) New insight into the stability of CaCO3 surfaces and nanoparticles via molecular simulation. Langmuir, Volume 30 (Number 25). pp. 7513-7521. doi:10.1021/la501409j ISSN 0743-7463.
Rees, Gregory J., Day, Stephen Paul, Lari, Alberth, Howes, Andrew P., Iuga, Dinu, Pitak, Mateusz B., Coles, Simon J., Threlfall, Terry L., Light, Mark E., Smith, Mark E., Quigley, David, Wallis, John D. and Hanna, John V. (2013) A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates. CrystEngComm, Volume 15 (Number 43). pp. 8823-8839. doi:10.1039/c3ce41258j ISSN 1466-8033.
Demichelis, Raffaella, Raiteri, Paolo, Gale, Julian D., Quigley, David and Gebauer, Denis (2011) Stable prenucleation mineral clusters are liquid-like ionic polymers. Nature Communications, Vol.2 . Article no. 590. doi:10.1038/ncomms1604 ISSN 2041-1723.
Freeman, C. L., Harding, J. H., Quigley, David and Rodger, P. Mark (2011) Simulations of ovocleidin-17 binding to calcite surfaces and its implications for eggshell formation. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol.115 (No.16). pp. 8175-8183. doi:10.1021/jp200145m ISSN 1932-7447.
Quigley, David, Freeman, C. L., Harding, J. H. and Rodger, P. Mark (2011) Sampling the structure of calcium carbonate nanoparticles with metadynamics. The Journal of Chemical Physics, Vol.134 (No.4). 044703. doi:10.1063/1.3530288 ISSN 0021-9606.
Raiteri, P., Gale, Julian D., Quigley, David and Rodger, P. Mark (2010) Derivation of an accurate force-field for simulating the growth of calcium carbonate from aqueous solution : a new model for the calcite-water interface. Journal of Physical Chemistry C, Vol.114 (No.13). pp. 5997-6010. doi:10.1021/jp910977a ISSN 1932-7447.
Freeman, C. L., Harding, J. H., Quigley, David and Rodger, P. Mark (2010) Structural control of crystal nuclei by an eggshell protein. Angewandte Chemie (International Edition), Vol.49 (No.30). pp. 5135-5137. doi:10.1002/anie.201000679 ISSN 1433-7851.
Quigley, David, Rodger, P. Mark, Freeman, C. L., Harding, J. H. and Duffy, D. M. (2009) Metadynamics simulations of calcite crystallization on self-assembled monolayers. Journal of Chemical Physics, Vol.131 (No.9). article no. 094703 . doi:10.1063/1.3212092 ISSN 0021-9606.
Harding, J. H., Duffy, D. M., Sushko, Maria L., Rodger, P. Mark, Quigley, David and Elliott, J. A. (James A.) (2008) Computational techniques at the organic-inorganic interface in biomineralization. Chemical Reviews, 108 (11). pp. 4823-4854. ISSN 0009-2665 doi:10.1021/cr078278y
Quigley, David and Probert, M. (2005) Progression of phase behavior for a sequence of model core-softened potentials. Physical Review E, Vol.72 (No.6). 061202. doi:10.1103/PhysRevE.72.061202 ISSN 1539-3755.
Quigley, David and Probert, M. (2005) Phase behavior of a three-dimensional core-softened model system. Physical Review E, Vol.71 (No.6). 065701. doi:10.1103/PhysRevE.71.065701 ISSN 1539-3755.
European Regional Development Fund (ERDF)
Rees, Gregory J., Day, Stephen Paul, Lari, Alberth, Howes, Andrew P., Iuga, Dinu, Pitak, Mateusz B., Coles, Simon J., Threlfall, Terry L., Light, Mark E., Smith, Mark E., Quigley, David, Wallis, John D. and Hanna, John V. (2013) A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates. CrystEngComm, Volume 15 (Number 43). pp. 8823-8839. doi:10.1039/c3ce41258j ISSN 1466-8033.
Joint Research Equipment Initiative (JREI)
Harding, J. H., Duffy, D. M., Sushko, Maria L., Rodger, P. Mark, Quigley, David and Elliott, J. A. (James A.) (2008) Computational techniques at the organic-inorganic interface in biomineralization. Chemical Reviews, 108 (11). pp. 4823-4854. ISSN 0009-2665 doi:10.1021/cr078278y
National Science Foundation (U.S.) (NSF)
Zimmermann, Nils E. R., Vorselaars, Bart, Quigley, David and Peters, Baron (2015) Nucleation of NaCl from aqueous solution : critical sizes, ion-attachment kinetics, and rates. Journal of the American Chemical Society, 137 (41). pp. 13352-13361. doi:10.1021/jacs.5b08098 ISSN 0002-7863.
Seventh Framework Programme (European Commission) (FP7)
Marsden, Alexander J., Brommer, Peter, Mudd, James J., Dyson, Mark Adam, Cook, Robert M., Asensio, MariΜa, Avila, JosΓ©, Levy, Ana, Sloan, Jeremy, Quigley, David, Bell, Gavin R. and Wilson, Neil R. (2015) Effect of oxygen and nitrogen functionalization on the physical and electronic structure of graphene. Nano Research . pp. 1-16. doi:10.1007/s12274-015-0768-0 ISSN 1998-0124.
United States. Air Force. Office of Scientific Research (AFOSR)
Rutter, Gil, Brown, Aaron H., Quigley, David, Walsh, Tiffany R. and Allen, M. P. (2015) Testing the transferability of a coarse-grained model to intrinsically disordered proteins. Physical Chemistry Chemical Physics, 17 (47). pp. 31741-31749. doi:10.1039/c5cp05652g ISSN 1463-9076.
United States. Department of Energy
Quigley, David, Alfè, D. and Slater, Ben (2014) Communication : on the stability of ice 0, ice i, and Ih. The Journal of Chemical Physics, Volume 141 (Number 16). Article number 161102. doi:10.1063/1.4900772 ISSN 0021-9606.
University of Birmingham
Quigley, David, Freeman, C. L., Harding, J. H. and Rodger, P. Mark (2011) Sampling the structure of calcium carbonate nanoparticles with metadynamics. The Journal of Chemical Physics, Vol.134 (No.4). 044703. doi:10.1063/1.3530288 ISSN 0021-9606.
University of Warwick
Quigley, David, Freeman, C. L., Harding, J. H. and Rodger, P. Mark (2011) Sampling the structure of calcium carbonate nanoparticles with metadynamics. The Journal of Chemical Physics, Vol.134 (No.4). 044703. doi:10.1063/1.3530288 ISSN 0021-9606.
This list was generated on Wed Apr 24 16:06:04 2024 BST.