1. 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
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