A molecular dynamics study on surface properties of supercooled water
✍ Scribed by Yongjun Lü; Bingbo Wei
- Book ID
- 107360117
- Publisher
- Science in China Press (SCP)
- Year
- 2006
- Tongue
- English
- Weight
- 772 KB
- Volume
- 49
- Category
- Article
- ISSN
- 1672-1799
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We carried out NPT ensemble classical molecular dynamics simulation of water in solid, liquid and gaseous state. The simulations were performed for two density cases-normal (r ¼ 1 g/cm 3 ) and lowered density (r ¼ 0:25 g/cm 3 ), for several values of temperature. The calculated structural and dynami
molecular mechanisms underlying the association of a pro-A molecular model was constructed simulating a pentapeptide tein with a surface. Understanding how a protein adsorbs protein, leucine enkephalin, near a crystalline polyethylene (PE) may suggest ways in which the adsorption process can be surf