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Volumn 107, Issue 35, 2003, Pages 6814-6818

Synergism of catalysis and reaction center rehybridization. A novel mode of catalysis in the hydrolysis of carbon dioxide

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; CHARGE RELAXATION; PROTON-TRANSFER TRANSITION STATE; REACTION CENTER REHYBRIDIZATION;

EID: 0141682803     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034764n     Document Type: Article
Times cited : (47)

References (27)
  • 26
    • 0141869870 scopus 로고    scopus 로고
    • note
    • **-optimized structures show that the population of the O atom in carbon dioxide is -0.61, and it is -0.74 in carbonic acid.
  • 27
    • 0141758280 scopus 로고    scopus 로고
    • note
    • **-optimized structures show that the population of an OH group in water is -0.45, and it is -0.24 in carbonic acid.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.