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Volumn 110, Issue 20, 2006, Pages 9747-9750

Orientational correlations in the glacial state of triphenyl phosphite

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CRYSTAL STRUCTURE; HYDROGEN BONDS; MOLECULAR ORIENTATION; MONTE CARLO METHODS; X RAY DIFFRACTION;

EID: 33745852613     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp060692z     Document Type: Article
Times cited : (15)

References (29)
  • 23
    • 84906373896 scopus 로고    scopus 로고
    • note
    • 14 so neutron and X-ray data were both taken at 220 K after 4 h to minimize any structural variations between experiments.
  • 26
    • 84906402481 scopus 로고    scopus 로고
    • note
    • If the phenyl rings were kept too rigid, the simulation became stuck in local minima. Also, because of the large number of coordination constraints, the number of molecules which could be included in the model was limited, so that the simulation would converge in a reasonable time frame.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.