Theoretical study on solvation effect by means of multistage strategy : Combination of low level sampling and high level calculation
Use this link to cite this item : https://ir.lib.hiroshima-u.ac.jp/00036266
| ID | 36266 |
| file | |
| title alternative | 多段階計算による溶媒和効果についての理論化学的研究：低精度計算によるサンプリングと高精度計算の組み合わせ
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| creator |
Miyamoto, Hidenori
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| NDC |
Chemistry
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| date of created | 2014-11-21
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| language |
eng
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| nii type |
Thesis or Dissertation
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| HU type |
Doctoral Theses
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| DCMI type | text
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| format | application/pdf
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| text version | ETD
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| rights | Copyright(c) by Author
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| relation references | H. Miyamoto, M. Aida; Ab Initio QM/MM-MC Study on Hydrogen Transfer of Glycine Tautomerization in Aqueous Solution: Helmholtz Energy Changes along Water-mediated and Direct Processes.; Chemistry Letters, Vol.42 (2013) No.6 P598-600 (doi: 10.1246/cl.130126)
H. Miyamoto, M. Aida; Helmholtz Energy Change between Neutral and Zwitterionic Forms of Glycine in Aqueous Solution using Ab Initio Expanded QM/MM-MC with QM Solvent.; Chemistry Letters, Vol.42 (2013) No.9 P1010-1012 (doi: 10.1246/cl.130412)
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| relation references URL | http://dx.doi.org/10.1246/cl.130126 , http://dx.doi.org/10.1246/cl.130412
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| grantid | 甲第6201号
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| degreeGrantor | 広島大学(Hiroshima University)
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| degreename Ja | 博士(理学)
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| degreename En | Science
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| degreelevel | doctoral
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| date of granted | 2013-06-24
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| department |
Graduate School of Science
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