Novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: free energy calculation for the Beckmann rearrangement promoted by proton transfers in the supercritical water.
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Computation of the free energy change associated with one-electron reduction of coenzyme immersed in water: a novel approach within the framework of the quantum mechanical/molecular mechanical method combined with the theory of energy representationInvestigation of the dominant hydration structures among the ionic species in aqueous solution: novel quantum mechanics/molecular mechanics simulations combined with the theory of energy representation.A modern solvation theory: quantum chemistry and statistical chemistry.
P2860
Novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: free energy calculation for the Beckmann rearrangement promoted by proton transfers in the supercritical water.
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2007 nî lūn-bûn
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2007年の論文
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2007年学术文章
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2007年学术文章
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2007年学术文章
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2007年学术文章
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2007年学术文章
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2007年学术文章
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2007年學術文章
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name
Novel quantum mechanical/molec ...... rs in the supercritical water.
@en
Novel quantum mechanical/molec ...... rs in the supercritical water.
@nl
type
label
Novel quantum mechanical/molec ...... rs in the supercritical water.
@en
Novel quantum mechanical/molec ...... rs in the supercritical water.
@nl
prefLabel
Novel quantum mechanical/molec ...... rs in the supercritical water.
@en
Novel quantum mechanical/molec ...... rs in the supercritical water.
@nl
P2093
P2860
P356
P1476
Novel quantum mechanical/molec ...... rs in the supercritical water.
@en
P2093
Hideaki Takahashi
Kohsuke Tanabe
Masataka Aketa
Shin-ichi Furukawa
P2860
P304
P356
10.1063/1.2566834
P407
P577
2007-02-01T00:00:00Z