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Volumn 110, Issue 3, 2006, Pages 1166-1171

The electronic structure of the hydrated proton: A comparative X-ray absorption study of Aqueous HCl and NaCl Solutions

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ELECTRONIC STRUCTURE; ELECTROSTATICS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; PROTONS; SODIUM CHLORIDE; SOLUTIONS; X RAYS;

EID: 33644549149     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0534582     Document Type: Article
Times cited : (43)

References (37)
  • 17
    • 84906377240 scopus 로고    scopus 로고
    • note
    • For all oxygen atoms, the A2 (4, 3; 4, 3) auxiliary basis set, and for all hydrogen atoms, the A1 (3, 1; 3,1) auxiliary basis set and the DZVP2 (41/1*) orbital basis set were used. For the central oxygen, the IGLO III orbital basis set was used, while for all other oxygen atoms, the effective core potential (311/211/1) orbital basis set and (3, 1; 10, 0) model core potential were used. For chlorine and sodium atoms, the effective core potential (3, 4; 3, 4) and (5, 2; 5, 2) auxiliary basis sets and (41/31/1) and (311/211/1) orbital basis sets were used, respectively.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.