Takahashi Group (情報化学研究室)
Takahashi Group (情報化学研究室)
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Shigehito Isobe
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Enhanced hydrogen desorption properties of LiAlH 4 by doping lithium metatitanate
Prediction of the dopant activity of chemical compounds against ammonia borane with key descriptors: electronegativity and crystal structures
Revealing the multibonding state between hydrogen and graphene-supported Ti clusters
Dependence of constituent elements of AB5 type metal hydrides on hydrogenation degradation by CO2 poisoning
Enhancing the hydrogen storage capacity of TiFe by utilizing clusters
Low temperature hydrogenation of iron nanoparticles on graphene
Chemisorption of hydrogen on Fe clusters through hybrid bonding mechanisms
H2 dissociation over NbO: The first step toward hydrogenation of Mg
Strain field of interstitial hydrogen atom in body-centered cubic iron and its effect on hydrogen-dislocation interaction
The catalytic effect of Nb, NbO and Nb2O5 with different surface planes on dehydrogenation in MgH2: Density functional theory study
The stabilization of Fe, Ru, and Os clusters upon hydrogenation
The structural and electronic properties of small osmium clusters (2--14): A density functional theory study
Phase Transition of Mg during Hydrogenation of Mg--Nb2O5 Evaporated Composites
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