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Order-disorder transitions of conjugated polymers in solution

✍ Scribed by Kenneth S. Schweizer


Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
534 KB
Volume
125
Category
Article
ISSN
0009-2614

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Order–Disorder Structural Phase Transiti
✍ Jianjun Liu; Chun-gang Duan; W.N. Mei; R.W. Smith; J.R. Hardy 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 385 KB

Order+disorder structural phase transitions in alkali perchlorates MClO 4 (M ‫؍‬ Na, K, Rb, Cs) are investigated using molecular dynamics simulation. The potentials in the simulations are based on the Gordon+Kim modi5ed electron gas formalism extended to molecular ions. The simulations yield 5rst-or