Interaction site preference between carbon nanotube and nifedipine: A combined density functional theory and classical molecular dynamics study

Journal of Molecular Structure: THEOCHEM

Volumn 901, Issue 1-3, 2009, Pages 163-168

  Liu, Huichun ^a   Bu, Yuxiang ^a   Mi, Yunjie ^b   Wang, Yixuan ^b  

^a SHANDONG UNIVERSITY   (China)

^b ALBANY STATE UNIVERSITY   (United States)

Author keywords

Density functional theory; Encapsulation; Molecular dynamics simulatioon; Nifedipine; SWCNT

Indexed keywords

EID: 62949164356     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.01.021     Document Type: Article

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