Theoretical studies for inclusion of guest particles in Calix[4] Arene(<Special Issue>INNOVATIVE BIOMEDICAL TECHNOLOGIES and INFORMATICS, BMFSA2008)

スポンサーリンク

概要

• 論文の詳細を見る

• Dynamic motion and stability on p-tert-butyl-calix[4]arene is investigated. Three kinds of simulation programs are adopted to clarify various aspect of the Calix[4]arene. Using AMBER parameters, the structure of single Calix[4]arene is found to be not stable, and behave like a butterfly. Using THINKER, it is found that several stable structures are possible in case of more than two Calix[4]arenes. Owing to the attraction of OH-base, they can make layer structure, and also line in a inclined direction. Using DS-POLY, the inclusion energy given by Alavi et al. is reproduced by our simulation in 2x2x2 unit cells.

• バイオメディカル・ファジィ・システム学会の論文

著者

• Nakano Masahiro

  Information Science And Physics University Of Occupational And Environmental Health

• ENDOU Hajime

  Technova Inc.

• MAKINO Ken-ichi

  Information Science, University of Occupational and Environmental Health

関連論文

• Theoretical and experimental studies to remove a stench around a bedside
• Effects of Lower Limb and Dorsolumbar Massages on Edema in Postpartum Women
• The Burden of the Neck in Hair-Washing Using a Shampoo Sink : A Comparison between Horizontal Supine Position and Shampoo Chair
• Theoretical studies for inclusion of guest particles in Calix[4] Arene(INNOVATIVE BIOMEDICAL TECHNOLOGIES and INFORMATICS, BMFSA2008)
• Theoretical studies for removal devices of bad smell(INNOVATIVE BIOMEDICAL TECHNOLOGIES and INFORMATICS, BMFSA2008)

スポンサーリンク