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Volumn 68, Issue 5, 2004, Pages 813-817

An ab initio study of the relative stabilities and equations of state of Fe3S polymorphs

Author keywords

Equation of state; Fe3S polymorph; Mars; Non magnetic data

Indexed keywords

COMPUTER SIMULATION; DATA ACQUISITION; ELASTIC MODULI; IRON COMPOUNDS; ISOTHERMS; MAGNETISM;

EID: 11144328292     PISSN: 0026461X     EISSN: None     Source Type: Journal    
DOI: 10.1180/0026461046850221     Document Type: Article
Times cited : (4)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.