Center for Computational Physics - Computational Condensed Matter Physics -

Papers published from Center for Computational Physics, University of Tsukuba /

Computational Condensed Matter Physics

Catalytic Role of Metal Ion in the Selection of Competing Reaction Paths: a First Principles Molecular Dynamics Study of the Enzymatic Reaction in Ribozyme

Authors: M. Boero, K. Terakura and M. Tateno
Published: J. Am. Chem. Soc. Vol. 124, pp. 8949 - 8957
Date: 2002
URL: http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ja017843q

Virtual laboratory: computer simulations of the catalytic cleavage of ribozymes

Authors: M. Boero
Published: AIST Today, No. 11, vol. 2, pag. 17
Date: 2002

Energetics and Electronic Structures of Encapsulated C60 in a Carbon Nanotube

Authors: Susumu Okada, Susumu Saito, and Atsushi Oshiyama
Published: Physical Review Letters, Vol. 86, pp. 3835 - 3838
Date: 2001
URL: http://ojps.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=PRLTAO000086000017003835000001&idtype=cvips&gifs=yes&jsessionid=3160161067984318748

Susumu Okada, Minoru Otani, and Atsushi Oshiyama

Authors: Electron-states control of carbon nanotubes by space and encapsulated fullerenes
Published: Susumu Okada, Minoru Otani, and Atsushi Oshiyama
Venue: Physical Review B, Vol. 67, art. no. 205411
Date: 2003

Energetics and Electronic Structure of C70-Peapods and One-Dimensional Chains of C70

Authors: Susumu Okada, Minoru Otani, and Atsushi Oshiyama
Published: New Journal of Physics, Carbon Nanotube Focused Issue, Vol. 5, pp. 122.1 - 122.11
Date: 2003
URL: http://www.iop.org/EJ/article/1367-2630/5/1/122/njp3_1_122.html

Energetics and electronic structures of one-dimensional fullerene chains encapsulated in zigzag nanotubes

Authors: Minoru Otani, Susumu Okada, and Atsushi Oshiyama
Published: Physical Review B, Vol. 68, art. no. 125424
Date: 2003
URL: http://ojps.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=PRBMDO000068000012125424000001&idtype=cvips&gifs=yes