Theoretical study on solvation effect by means of multistage strategy : Combination of low level sampling and high level calculation

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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	Science
Date of Granted	2013-06-24
Degree Grantors	広島大学