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المؤلفون: Wojciech Jankiewicz, Rafał Podeszwa, Henryk A. Witek
المصدر: Journal of Chemical Theory and Computation. 14:5079-5089
مصطلحات موضوعية: Physics, Phrase, 010304 chemical physics, Interaction energy, 01 natural sciences, Computer Science Applications, Component (UML), 0103 physical sciences, A priori and a posteriori, Statistical dispersion, Density functional theory, Statistical physics, Physical and Theoretical Chemistry, 010306 general physics
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المؤلفون: Magdalena Krzuś, Rafał Podeszwa, Wojciech Jankiewicz, Henryk A. Witek
المصدر: The Journal of chemical physics. 150(23)
مصطلحات موضوعية: Physics, Range (particle radiation), Graphene, General Physics and Astronomy, Charge density, Electrostatics, Molecular physics, Homonuclear molecule, law.invention, Tight binding, law, Quadrupole, Physical and Theoretical Chemistry, Mulliken population analysis
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3
المؤلفون: Elia Schneider, Harald Oberhofer, Bouke P. van Eijck, Dennis M. Elking, Rafał Podeszwa, David P. McMahon, Angeles Pulido, Christina-Anna Gatsiou, Daniël T. de Jong, Constantinos C. Pantelides, D. W. M. Hofmann, Luca Iuzzolino, Artem R. Oganov, Chris J. Pickard, Marta B. Ferraro, Jan Gerit Brandenburg, Farren Curtis, Karsten Reuter, René de Gelder, Johannes Hoja, Yanchao Wang, Sharmarke Mohamed, Rona E. Watson, Graeme M. Day, Alston J. Misquitta, Wojciech Jankiewicz, Saswata Bhattacharya, Roberto Car, Richard I. Cooper, Murray G. Read, Marcus A. Neumann, Alexander Dzyabchenko, Katherine Cosburn, Álvaro Vázquez-Mayagoitia, Luca M. Ghiringhelli, Stefan Grimme, Alexandre Tkatchenko, Jian Lv, Jack Yang, Francesca Vacarro, Patrick McCabe, Herma M. Cuppen, L. N. Kuleshova, Joost A. van den Ende, Julio C. Facelli, Yanming Ma, Claire S. Adjiman, Krzysztof Szalewicz, Renu Chadha, Gilles A. de Wijs, Sarah L. Price, Frank J. J. Leusen, Mark E. Tuckerman, Noa Marom, Niek J. J. de Klerk, Manolis Vasileiadis, Richard J. Needs, Shigeaki Obata, Gabriel Ignacio Pagola, J.E. Campbell, Anthony M. Reilly, A. Daniel Boese, Qiang Zhu, Hsin-Yu Ko, Robert A. DiStasio, Rita Bylsma, Leslie Vogt, Hugo Meekes, Xiayue Li, Artëm E. Masunov, Colin R. Groom, John Kendrick, David H. Case, Pawanpreet Singh, Thomas S. Gee, Louise S. Price, Rebecca K. Hylton, Gregory P. Shields, Jason C. Cole, Michael P. Metz, Christoph Schober, Bartomeu Monserrat, Christopher R. Taylor, Hitoshi Goto, Isaac J. Sugden, Jonas Nyman, Peter J. Bygrave, Rui Guo, Albert M. Lund, Laszlo Fusti-Molnar, Sanjaya Lohani, Anita M. Orendt
المساهمون: Monserrat Sanchez, Bartomeu [0000-0002-4233-4071], Needs, Richard [0000-0002-5497-9440], Pickard, Christopher [0000-0002-9684-5432], Apollo - University of Cambridge Repository
المصدر: Acta Crystallographica, Section B-Structural Science, Crystal Engineering and Materials, 72, pp. 439-459
Acta Crystallographica, Section B-Structural Science, Crystal Engineering and Materials, 72, 439-459
Acta Crystallographica Section B
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICETمصطلحات موضوعية: Ciencias Físicas, 02 engineering and technology, Solid State Chemistry, 010402 general chemistry, LATTICE ENERGIES, 01 natural sciences, crystal structure prediction, polymorphism, Analytical Chemistry, purl.org/becyt/ford/1 [https], lattice energies, Prediction methods, Materials Chemistry, Chloride salt, Cambridge Structural Database, Theoretical Chemistry, GeneralLiterature_REFERENCE(e.g.,dictionaries,encyclopedias,glossaries), Electronic Structure of Materials, Complement (set theory), Structure (mathematical logic), Chemistry, Metals and Alloys, Organic crystal, purl.org/becyt/ford/1.3 [https], 021001 nanoscience & nanotechnology, Atomic and Molecular Physics, and Optics, CRYSTAL STRUCTURE PREDICTION, POLYMORPHISM, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, Crystal structure prediction, Astronomía, Range (mathematics), Ranking, CAMBRIDGE STRUCTURAL DATABASE, 0210 nano-technology, Algorithm, CIENCIAS NATURALES Y EXACTAS
وصف الملف: application/pdf