Calculation of the total energy per unit cell and of the band structures of the five nucleotide...

Autor: Zhang, M.-L., Miao, M.S.

Publikováno v: Journal of Chemical Physics; 11/8/1999, Vol. 111 Issue 18, p8696, 5p, 5 Charts, 6 Graphs

Conformation and electronic properties of some plastics and conducting polymers

Autor: Miao, M.S., Mintmire, J.W., Ladik, J.J., van Camp, Peter, van Doren, Victor

Publikováno v: 5th European Conference on Advanced Materials and Processes and, Applications (EUROMAT 97), APR 21-23, 1997, MAASTRICHT, NETHERLANDS
EUROMAT 97-PROCEEDINGS OF THE 5TH EUROPEAN CONFERENCE ON ADVANCED MATERIALS AND PROCESSES AND APPLICATIONS: MATERIALS, FUNCTIONALITY & DESIGN, VOL 2: POLYMERS AND CERAMICS

Using two different local density approximations-X-alpha and Perdew-Zunger (PZ) of the density functional method, we have studied the conformation and electronic structure of several kinds of helical polymers, including various plastic materials and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______2097::e7254bbbe34cdd1cf3c2180ca5c52d4a
https://hdl.handle.net/10067/1043780151162165141

Electronic Structure and Magnetic Properties of Transition Metal Doped Silicon Carbide in Different Polytypes

Autor: Miao, M.S., Lambrecht, Walter R.L.

Publikováno v: Materials Science Forum; October 2006, Vol. 527 Issue: 1 p641-646, 6p

LDA and tight-binding: Total energy calculations of polyparaphenylene

Autor: Miao, M.S., Van Doren, V.E., Van Camp, P.E., Straub, G.

Publikováno v: Computational Materials Science; February 1998, Vol. 10 Issue: 1-4 p362-367, 6p

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