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Volumn 107, Issue 32, 2003, Pages 6225-6230

Topological study of the effect of the isomorphic substitution of silicon by aluminum on the zeolite structure and its interaction with methane

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; LATTICE CONSTANTS; METHANE; TOPOLOGY; VAN DER WAALS FORCES; ZEOLITES;

EID: 0042388524     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp027399t     Document Type: Article
Times cited : (7)

References (35)
  • 34
    • 0041359215 scopus 로고    scopus 로고
    • note
    • The C-H bonds and the H-C-H angles are found to be 1.092 Å and 109.5°, respectively, in isolated methane. The calculations are accomplished at the B3LYP/6-31G** level of theory.
  • 35
    • 0041860039 scopus 로고    scopus 로고
    • note
    • b, amounts to +0.2716 and -0.8959 au, respectively, in isolated methane.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.