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ID 36266
file
Thumnail k6201_3.pdf 3.77 MB
Thumnail k6201_1.pdf 103 KB
Thumnail k6201_2.pdf 141 KB
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
creator
Miyamoto, Hidenori
NDC
Chemistry
date of created
2014-11-21
language
eng
nii type
Thesis or Dissertation
HU type
Doctoral Theses
DCMI type
text
format
application/pdf
text version
ETD
rights
Copyright(c) by Author
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)
relation references URL
http://dx.doi.org/10.1246/cl.130126 , http://dx.doi.org/10.1246/cl.130412
grantid
甲第6201号
degreeGrantor
広島大学(Hiroshima University)
degreename Ja
博士(理学)
degreename En
Science
degreelevel
doctoral
date of granted
2013-06-24
department
Graduate School of Science



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