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Phonons and structure in nano-clusters: a molecular dynamics study for Al

✍ Scribed by W. Schommers

Book ID
117675703
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
184 KB
Volume
9
Category
Article
ISSN
0965-9773

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## Abstract An __ab initio__ quantum mechanical charge field molecular dynamics simulation was carried out for one methanol molecule in water to analyze the structure and dynamics of hydrophobic and hydrophilic groups. It is found that water molecules around the methyl group form a cage‐like struct