Theoretical study on solvation effect by means of multistage strategy : Combination of low level sampling and high level calculation
アクセス数 : 801 件
ダウンロード数 : 410 件
今月のアクセス数 : 0 件
今月のダウンロード数 : 0 件
この文献の参照には次のURLをご利用ください : https://ir.lib.hiroshima-u.ac.jp/00036266
File |
k6201_3.pdf
3.77 MB
種類 :
fulltext
|
File |
k6201_1.pdf
103 KB
種類 :
abstract
|
File |
k6201_2.pdf
141 KB
種類 :
abstract
|
Title ( eng ) |
Theoretical study on solvation effect by means of multistage strategy : Combination of low level sampling and high level calculation
|
Title ( jpn ) |
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
|
Creator |
Miyamoto Hidenori
|
NDC |
Chemistry [ 430 ]
|
Language |
eng
|
Resource Type | doctoral thesis |
Rights |
Copyright(c) by Author
|
Publish Type | Not Applicable (or Unknown) |
Access Rights | open access |
Date |
[Created] 2014-11-21
|
Source Identifier |
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)
references
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)
references
[DOI] http://dx.doi.org/10.1246/cl.130126 , http://dx.doi.org/10.1246/cl.130412
references
|
Dissertation Number | 甲第6201号 |
Degree Name | |
Date of Granted | 2013-06-24 |
Degree Grantors |
広島大学
|