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Volumn 121, Issue 23, 1999, Pages 5548-5558

Mechanism of alkaline hydrolysis of cyclic and acyclic sulfates: An ab initio study with solvation correction

Author keywords

[No Author keywords available]

Indexed keywords

ALKALINE EARTH METAL; SULFATE;

EID: 0033575123     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja984193q     Document Type: Article
Times cited : (24)

References (42)
  • 37
    • 0344400509 scopus 로고    scopus 로고
    • note
    • Mulliken atomic charges have to be analyzed with care, especially when diffuse functions are contained in the basis set. Although the value of the atomic charge can differ substantially with the method and the basis set used, the overall trends, in general, are similar.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.