7 results on '"Alan Hare"'
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2. Understanding crystal nucleation mechanisms: where do we stand? General discussion
- Author
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Michael W. Anderson, Matthew Bennett, Ruel Cedeno, Helmut Cölfen, Stephen J. Cox, Aurora J. Cruz-Cabeza, James J. De Yoreo, Rik Drummond-Brydson, Marta K. Dudek, Kristen A. Fichthorn, Aaron R. Finney, Ian Ford, Johanna M. Galloway, Denis Gebauer, Romain Grossier, John H. Harding, Alan Hare, Dezső Horváth, Liam Hunter, Joonsoo Kim, Yuki Kimura, Christine E. A. Kirschhock, Alexei A. Kiselev, Weronika Kras, Christian Kuttner, Alfred Y. Lee, Zhiyu Liao, Lucia Maini, Sten O. Nilsson Lill, Nick Pellens, Sarah L. Price, Ivo B. Rietveld, Jeffrey D. Rimer, Kevin J. Roberts, Jutta Rogal, Matteo Salvalaglio, Ilaria Sandei, Gábor Schuszter, Jan Sefcik, Wenhao Sun, Joop H. ter Horst, Marko Ukrainczyk, Alexander E. S. Van Driessche, Stéphane Veesler, Peter G. Vekilov, Vivek Verma, Thomas Whale, Helen P. Wheatcroft, Jacek Zeglinski, Centre Interdisciplinaire de Nanoscience de Marseille (CINaM), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), Sciences et Méthodes Séparatives (SMS), Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Normandie Université (NU), and Collaboration
- Subjects
500 Naturwissenschaften und Mathematik::530 Physik::530 Physik ,[CHIM]Chemical Sciences ,[CHIM.MATE]Chemical Sciences/Material chemistry ,crystal nucleation mechanisms ,Physical and Theoretical Chemistry - Published
- 2022
- Full Text
- View/download PDF
3. Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion
- Author
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J. Christian Schön, Matthew R. Ryder, Jonas Nyman, Seiji Tsuzuki, Alexandre Tkatchenko, Alan Hare, John B. O. Mitchell, Marcus A. Neumann, Julian Helfferich, Samuel Alexander Jobbins, Johannes Hoja, David H. Bowskill, Ivo B. Rietveld, Luca Iuzzolino, Pablo M. Piaggi, Michael T. Ruggiero, Sharmarke Mohamed, Sarah L. Price, Rui Guo, Mihails Arhangelskis, Qiang Zhu, Artem R. Oganov, Matthew Addicoat, Jason C. Cole, Gregory J. O. Beran, Graeme M. Day, Sten O. Nilsson Lill, Doris E. Braun, Scott M. Woodley, Christopher R. Taylor, Virginia M. Burger, German Sastre, Claire S. Adjiman, Noa Marom, Aurora J. Cruz-Cabeza, David McKay, Jan Gerit Brandenburg, Susan M. Reutzel-Edens, Grahame Woollam, Joost A. van den Ende, Volker L. Deringer, Respiratory Epidemiology and Public Health, Imperial College London-Royal Brompton Hospital-National Heart and Lung Institute [UK], Mulliken Center for Theoretical Chemistry, Rheinische Friedrich-Wilhelms-Universität Bonn, Bonn, Blackett Laboratory, Imperial College London, University of Cambridge [UK] (CAM), Brigham and Women's Hospital [Boston], Karlsruhe Institute of Technology (KIT), Institute for Computational Engineering and Sciences [Austin] (ICES), University of Texas at Austin [Austin], School of Engineering and Physical Sciences, Heriot-Watt University, Heriot-Watt University [Edinburgh] (HWU), University College of London [London] (UCL), Sciences et Méthodes Séparatives (SMS), Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Normandie Université (NU), Univ Politecnica Valencia Consejo Super Invest, Inst Tecnol Quim UPV CSIC, Valencia 46022, Spain, Max Planck Institute for Solid State Research, Max-Planck-Gesellschaft, National Institute of Advanced Industrial Science and Technology (AIST), and Department of Chemistry, University College London
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,Materials science ,010304 chemical physics ,0103 physical sciences ,Thermodynamics ,02 engineering and technology ,Crystal structure ,Physical and Theoretical Chemistry ,021001 nanoscience & nanotechnology ,0210 nano-technology ,01 natural sciences ,ComputingMilieux_MISCELLANEOUS - Abstract
International audience
- Published
- 2018
- Full Text
- View/download PDF
4. Applications of crystal structure prediction – inorganic and network structures: general discussion
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Scott M. Woodley, Yi Li, John B. O. Mitchell, Peter R. Spackman, Frederik Claeyssens, Matthew S. Dyer, Graeme M. Day, Caroline Mellot-Draznieks, Daniel W. Davies, Sharmarke Mohamed, Michael T. Ruggiero, Matthew R. Ryder, J. Christian Schön, Sarah L. Price, Virginia M. Burger, Artem R. Oganov, Alan Hare, Qiang Zhu, German Sastre, Laboratoire de Chimie des Processus Biologiques (LCPB), and Collège de France (CdF (institution))-Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)
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Materials science ,Network structure ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,computer.software_genre ,01 natural sciences ,0104 chemical sciences ,Crystal structure prediction ,Data mining ,[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph] ,Physical and Theoretical Chemistry ,0210 nano-technology ,computer ,ComputingMilieux_MISCELLANEOUS - Abstract
International audience
- Published
- 2018
- Full Text
- View/download PDF
5. Structure searching methods: general discussion
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Scott M. Woodley, Stefanos Konstantinopoulos, Kim E. Jelfs, Claire S. Adjiman, J. Christian Schön, Matthew S. Dyer, David McKay, Shiyue Yang, Jan Gerit Brandenburg, Marcus A. Neumann, Virginia M. Burger, German Sastre, Peter R. Spackman, Volker L. Deringer, Graeme M. Day, Michael T. Ruggiero, Asbjoern Burow, Matthew Addicoat, Yanming Ma, Mihails Arhangelskis, Artem R. Oganov, Caroline Mellot-Draznieks, Julia A. Schmidt, Jonas Nyman, Qiang Zhu, Julian Keupp, Sten O. Nilsson Lill, Christopher Collins, Susan M. Reutzel-Edens, Sarah L. Price, Rochus Schmid, Gregory J. O. Beran, Yi Li, Alan Hare, Sharmarke Mohamed, Andrew Cooper, Doris E. Braun, Seiji Tsuzuki, Noa Marom, Laboratoire de Chimie des Processus Biologiques (LCPB), and Collège de France (CdF (institution))-Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)
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Structure (mathematical logic) ,Materials science ,Information retrieval ,business.industry ,MEDLINE ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,0104 chemical sciences ,Text mining ,[CHIM.CRIS]Chemical Sciences/Cristallography ,[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph] ,Physical and Theoretical Chemistry ,0210 nano-technology ,business ,ComputingMilieux_MISCELLANEOUS - Abstract
International audience
- Published
- 2018
- Full Text
- View/download PDF
6. Molecular self-assembly and clustering in nucleation processes: general discussion
- Author
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Francis Taulelle, Colan E. Hughes, Hugo Meekes, Joost A. van den Ende, Celso Aparecido Bertran, Robert B. Hammond, Kevin J. Roberts, Åke C. Rasmuson, Helmut Cölfen, Mireille M. H. Smets, Alan Hare, Bart Rimez, Jamshed Anwar, Roger J. Davey, Eric Breynaert, Diana M. Camacho Corzo, Allan S. Myerson, Elena Simone, Sarah L. Price, Sven L. M. Schroeder, Haihua Pan, Dikshitkumar Khamar, Ian Rosbottom, Samuel G. Booth, Laszlo Fabian, James J. De Yoreo, Marco Mazzotti, Dimitrios Toroz, Simon N. Black, Stéphane Veesler, Thomas D. Turner, Martí Gich, Kenneth Lewtas, Jan Sefcik, Fajun Zhang, Peter G. Vekilov, Kenneth D. M. Harris, Richard P. Sear, and R.I. Ristic
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Chemistry ,Chemical physics ,Nucleation ,Molecular self-assembly ,Physical and Theoretical Chemistry ,Cluster analysis - Published
- 2015
7. Time and Space resolved Methods: general discussion
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Richard P. Sear, Simon N. Black, Martin Ward, Marco Mazzotti, Maxim Likhatskiy, Samuel Booth, Kevin J. Roberts, Terence L. Threlfall, Allan S. Myerson, Dimitrios Toroz, Eric Breynaert, R.I. Ristic, Roger J. Davey, Åke C. Rasmuson, Helmut Cölfen, Martí Gich, Robert B. Hammond, Kevin Back, Jan Sefcik, Clément Brandel, Nico A. J. M. Sommerdijk, Jessica Lovelock, Wenhao Sun, Haihua Pan, Joop H. ter Horst, Gérard Coquerel, Laszlo Fabian, James J. De Yoreo, Colan E. Hughes, Hugo Meekes, Peter G. Vekilov, Ken Lewtas, Alan Hare, LaserLaB - Biophotonics and Microscopy, Biophotonics and Medical Imaging, LaserLaB - Analytical Chemistry and Spectroscopy, and Materials and Interface Chemistry
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Calcite ,Surface Properties ,Aragonite ,Nucleation ,Molecular Dynamics Simulation ,engineering.material ,Chemistry Techniques, Analytical ,Amorphous calcium carbonate ,chemistry.chemical_compound ,Drug Delivery Systems ,Calcium carbonate ,Energy Transfer ,Models, Chemical ,chemistry ,Chemical engineering ,Vaterite ,Solvents ,engineering ,Physical chemistry ,Classical nucleation theory ,Physical and Theoretical Chemistry ,Dissolution ,Fluorescent Dyes - Abstract
Jim De Yoreo presented some slides on in situ AFM, TEM, dynamic force spectroscopy (DFS) and optical spectroscopy investigations of nucleation in the calcium carbonate system: The free energy barrier to homogeneous nucleation of calcite calculated within the framework of classical nucleation theory (CNT) is prohibitive, even at concentrations exceeding the solubility limits of the amorphous phases. Consistent with this analysis, during nucleation in pure solutions, in our in situ TEM experiments we observed direct formation of all phases, including amorphous calcium carbonate (ACC), as well as the three predominant crystalline phases: calcite, vaterite, and aragonite, even under conditions in which ACC readily forms. In addition to direct formation pathways, we observed indirect pathways in which ACC transforms to aragonite and vaterite through nucleation within or on the precursors, rather than via dissolution and reprecipitation. We also observed aragonate transformation to calcite, but never recorded an instance in which ACC transforms into calcite, except via dissolution–reprecipitation reactions.
- Published
- 2015
- Full Text
- View/download PDF
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