Ab initiopotential for solids
نویسندگان
چکیده
منابع مشابه
Ab-initio prediction of the melting point of organic solids
The melting point is one of the most fundamental and practically important properties of a compound. For this reason molecular simulation methods have been developed aiming towards accurate computation of melting points. Knowledge of the melting point before a compound has been synthesized could significantly accelerate the design of new materials. Generally, the molecular simulation methods de...
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für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1992
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.46.3798