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Volumn 57, Issue 2, 2009, Pages 600-606

Surface modelling on heavy atom crystalline compounds: HfO2 and UO2 fluorite structures

Author keywords

Hybrid HF DFT calculations; Magnetic structure; Relativistic effects; Surface energy

Indexed keywords

ATOMIC PHYSICS; DENSITY FUNCTIONAL THEORY; FLUORSPAR; HAFNIUM COMPOUNDS; INTERFACIAL ENERGY; MAGNETIC DEVICES; MAGNETIC STRUCTURE; PROBABILITY DENSITY FUNCTION; PROGRAMMING THEORY; QUANTUM CHEMISTRY; SULFUR COMPOUNDS; SURFACE CHEMISTRY; SURFACE PROPERTIES; SURFACE TENSION; TRACE ANALYSIS;

EID: 58049198407     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2008.10.007     Document Type: Article
Times cited : (25)

References (47)
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    • Dovesi R, et al. CRYSTAL06 User's manual. University of Torino, Torino; 2006.
  • 14
    • 58049194608 scopus 로고    scopus 로고
    • Dolg M, Stoll H, Preuss H, et al. ECP pseudopotentials. Institute for Theoretical Chemistry, University of Stuttgart; 2008. URL: http://www.theochem.uni-stuttgart.de.
    • Dolg M, Stoll H, Preuss H, et al. ECP pseudopotentials. Institute for Theoretical Chemistry, University of Stuttgart; 2008. URL: http://www.theochem.uni-stuttgart.de.
  • 19
    • 58049215736 scopus 로고    scopus 로고
    • Tomaszewski PE. Golden book of phase transitions, vol. 1. Wroclaw; 2002. p.1-123.
    • Tomaszewski PE. Golden book of phase transitions, vol. 1. Wroclaw; 2002. p.1-123.
  • 28
    • 58049198838 scopus 로고    scopus 로고
    • Gurvich LV, Veits IV, et al. Thermodynamic properties of individual substances. In: Glushko VP, editor. Nauka, Moscow; 1978.
    • Gurvich LV, Veits IV, et al. Thermodynamic properties of individual substances. In: Glushko VP, editor. Nauka, Moscow; 1978.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.