the molecular dynamics simulation of hydrophobic hydration
碩士 === 國立臺灣大學 === 化學學系 === 84 === We carried out the direct MD simulaion to study the hydrophobic effect of an inert gas molecule in aqueous solution. Both the free energy of water and that of the hydrophobic solution were calculated by adi...
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1996
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| Online Access: | http://ndltd.ncl.edu.tw/handle/62261875826481046268 |
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ndltd-TW-084NTU000650302016-07-13T04:10:45Z http://ndltd.ncl.edu.tw/handle/62261875826481046268 the molecular dynamics simulation of hydrophobic hydration 疏水效應水合作用之分子模擬 Hwang, Ying-Diean 黃英典 碩士 國立臺灣大學 化學學系 84 We carried out the direct MD simulaion to study the hydrophobic effect of an inert gas molecule in aqueous solution. Both the free energy of water and that of the hydrophobic solution were calculated by adiabatic switching processes. The structure of water molecules around the hydrophobic solute was investigated by the 3-d distribution function and the polygon analysis method. We expect to understand more about the interaction between hydrophobic molecules as water through these statistical and thermodynamical methods. Mou, Chung-Yuan 牟中原 1996 學位論文 ; thesis 102 zh-TW |
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NDLTD |
| language |
zh-TW |
| format |
Others
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NDLTD |
| description |
碩士 === 國立臺灣大學 === 化學學系 === 84 === We carried out the direct MD simulaion to study the hydrophobic
effect of an inert gas molecule in aqueous solution. Both the
free energy of water and that of the hydrophobic solution were
calculated by adiabatic switching processes. The structure of
water molecules around the hydrophobic solute was investigated
by the 3-d distribution function and the polygon analysis
method. We expect to understand more about the interaction
between hydrophobic molecules as water through these
statistical and thermodynamical methods.
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| author2 |
Mou, Chung-Yuan |
| author_facet |
Mou, Chung-Yuan Hwang, Ying-Diean 黃英典 |
| author |
Hwang, Ying-Diean 黃英典 |
| spellingShingle |
Hwang, Ying-Diean 黃英典 the molecular dynamics simulation of hydrophobic hydration |
| author_sort |
Hwang, Ying-Diean |
| title |
the molecular dynamics simulation of hydrophobic hydration |
| title_short |
the molecular dynamics simulation of hydrophobic hydration |
| title_full |
the molecular dynamics simulation of hydrophobic hydration |
| title_fullStr |
the molecular dynamics simulation of hydrophobic hydration |
| title_full_unstemmed |
the molecular dynamics simulation of hydrophobic hydration |
| title_sort |
molecular dynamics simulation of hydrophobic hydration |
| publishDate |
1996 |
| url |
http://ndltd.ncl.edu.tw/handle/62261875826481046268 |
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