Solvent effect on the isomerization rate of calix[4]arene studied by molecular dynamics simulations

Journal of the American Chemical Society

Volumn 120, Issue 50, 1998, Pages 13167-13175

  Den Otter, W K ^a   Briels, W J ^a  

^a UNIVERSITY OF TWENTE   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

CALIXARENE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; ISOMERISM; MOLECULAR DYNAMICS; SIMULATION; THEORY;

EID: 0032561820     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9741739     Document Type: Article

References (15)

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11. 2]. The advantage of doing so is that fewer relaxation runs are needed for the averages to converge.
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