S
Shigeru Nagase
Researcher at Pusan National University
Publications - 6
Citations - 1282
Shigeru Nagase is an academic researcher from Pusan National University. The author has contributed to research in topics: Decarbonylation & Ion. The author has an hindex of 6, co-authored 6 publications receiving 1143 citations. Previous affiliations of Shigeru Nagase include University of New Hampshire & University of Puerto Rico, Río Piedras.
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Hydrazine and Thermal Reduction of Graphene Oxide: Reaction Mechanisms, Product Structures, and Reaction Design
TL;DR: In this article, the density functional theory method (M05-2X/6-31G(d)) was used to investigate reaction mechanisms for deoxygenation of graphene oxides with hydrazine or heat treatment.
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Density Functional Theory Study of Catechol Adhesion on Silica Surfaces
TL;DR: In this article, the authors performed a periodic density functional theory calculation for catechol adsorption on silica surfaces and obtained its binding energy and geometry on two representative hydroxylated surfaces of cristobalite.
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Oxidation Unzipping of Stable Nanographenes into Joint Spin-Rich Fragments
TL;DR: The rich geometrically correlated spins and the adjustable energy gaps indicate great potential of the graphene oxides in spintronic devices.
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Open-shell singlet character of stable derivatives of nonacene, hexacene and teranthene.
Xingfa Gao,Jennifer L. Hodgson,De-en Jiang,Shengbai Zhang,Shigeru Nagase,Glen P. Miller,Zhongfang Chen +6 more
TL;DR: The electronic ground states of the recently synthesized stable nonacene derivatives are open-shell singlets with a polyradical nature instead of closed- shell singlets as originally assumed, according to the unrestricted broken spin-symmetry density functional theory (UBS-DFT) computations (at B3LYP/6-31G*).
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Synthesis of Stannaindenyl Anions and a Dianion
TL;DR: The up-field 7Li NMR resonance in the 1-stannaindenyl dianion and the theoretical calculation suggest that the 1st-annain denyl has considerable aromatic character.