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Volumn 425, Issue 4-6, 2006, Pages 273-277

Self-catalyzed hydrogenation and dihydrogen adsorption on titanium carbide nanoparticles

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CATALYSTS; CHEMISORPTION; DISSOCIATION; ELECTRON ENERGY LEVELS; TITANIUM;

EID: 33745121210     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.05.034     Document Type: Article
Times cited : (63)

References (34)
  • 27
    • 33745158582 scopus 로고    scopus 로고
    • note
    • While Refs. [21] and [22] showed that the singlet state should be 0.1-0.13 eV lower than the triplet state; Ref. [23] predicted instead a triplet ground state. Recent configuration-interaction calculation with 80 active electrons [24] showed that the triplet state should be 0.12 eV above the singlet state. In our calculation, the triplet state is 0.02 eV lower than the singlet state.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.