Molecular dynamics simulation study of spontaneous enantiomeric resolution of racemic β-Me-TFMHPOBC

Journal of the Physical Society of Japan

Volumn 72, Issue 6, 2003, Pages 1403-1405

  Yoneya, Makoto ^a   Nishiyama, Isa ^a   Yokoyama, Hiroshi ^b  

^a JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

Chirality; Liquid crystal; Molecular simulation; Optical resolution

Indexed keywords

METHYL GROUP;

ARTICLE; CALCULATION; ENANTIOMER; MOLECULAR DYNAMICS; MOLECULE; OPTICS; RACEMIC MIXTURE; SIMULATION; STEREOCHEMISTRY;

EID: 0042166045     PISSN: 00319015     EISSN: None     Source Type: Journal    
DOI: 10.1143/JPSJ.72.1403     Document Type: Article

References (8)

1. Y. Takanishi, H. Takezoe, Y. Suzuki, I. Kobayashi, T. Yajima, M. Terada and K. Mikami: Angew. Chem. Int. Ed. Engl. 38 (1999) 2354.
2. K. Mikami, T. Yajima, M. Terada, S. Kawauchi, Y. Suzuki and I. Kobayashi: Chem. Lett. (1996) 861.
3. W. F. van Gunsteren and H. J. C. Berendsen: GROMOS Manual, BIOMOS b.v., Biomolecular Software, Univ. of Groningen, The Netherlands, 1987.
4. N. Collazo, S. Shin and S. A. Rice: J. Chem. Phys. 96 (1992) 4735.
5. B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan and M. Karplus: J. Comput. Chem. 4 (1983) 187.
6. M. Yoneya and T. Ouchi: Mol. Simul. 15 (1995) 273.
7. M. Yoneya, H. J. C. Berendsen and K. Hirasawa: Mol. Simul. 13 (1994) 395.
8. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola and J. R. Haak: J. Chem. Phys. 81 (1984) 3684.