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Volumn 102, Issue 33, 1998, Pages 6342-6350

Deprotonation of water in the presence of carboxylate and magnesium ions

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000364023     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9815412     Document Type: Article
Times cited : (57)

References (49)
  • 46
    • 11744322415 scopus 로고    scopus 로고
    • note
    • At the RHF/6-31+G*//RHF/6-31+G* level, both conformers were also found to be local minima on the PES.
  • 48
    • 85088279728 scopus 로고    scopus 로고
    • note
    • 2+, with only one water ligand, is 93.2 kcal/mol at the MP2(FULL)/ 6-311++G**//MP2(FULL)/6-3114-+G** computational level, a reduction of nearly 80% compared to the corresponding value for isolated water.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.