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Volumn 107, Issue 46, 2003, Pages 9762-9775

Search for low energy structures of water clusters (H2O)n, n = 20-22, 48, 123, and 293

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLINITY; ENERGY STRUCTURE; SPHEROID STRUCTURES;

EID: 0344272378     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0305436     Document Type: Article
Times cited : (104)

References (116)
  • 89
  • 92
    • 0345189179 scopus 로고    scopus 로고
    • Private communication
    • Bauerecker, S. Private communication.
    • Bauerecker, S.1
  • 115
    • 0344758793 scopus 로고    scopus 로고
    • note
    • Visual inspection shows that the parent structure of 123A retained much of the crystallinity after initial surface relaxation (see section II.B). The crystallinity disappeared in the course of the MD+HNI optimization.
  • 116
    • 0344758792 scopus 로고    scopus 로고
    • note
    • The n = 48 sandwich structure was subjected to H-structure optimization to eliminate neighboring dangling H; we may not have found a lowest energy structure of this type, but significant additional energy gain due to H-bond optimization appears unlikely.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.