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Hiromi Nakai

affiliation not provided to SSRN

  • affiliation not provided to SSRN

SCHOLARLY PAPERS

4

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75

TOTAL CITATIONS

0

Scholarly Papers (4)

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1.

First-principles prediction of supported metal nanoparticle structures based on Wulff–Winterbottom construction

Number of pages: 42 Posted: 11 Apr 2026
Miyu Onishi, Ayako Nakata and Hiromi Nakai
affiliation not provided to SSRN, National Institute for Materials Science and affiliation not provided to SSRN
Downloads 21 (1,459,862)

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Metal nanoparticles, First-principles calculation, Wulff construction, Winterbottom construction, Surface energy

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Accelerated molecular dynamics, Density functional tight-binding, Atom-resolved energy, Enhanced sampling

3.

Enhancing Chemoselectivity Via Strong Metal-Support Interaction: Selective Hydrogenation of 4-Chloronitrobenzene Over Pd/Tio2 Catalysts

Number of pages: 27 Posted: 19 Jun 2025
Hiromu Akiyama, Koki Saegusa, Hiroshi Sampei, Takuma Higo, Kyogo Maeda, Toshiyuki Watanabe, Shigeru Kado, Hiromi Nakai and Yasushi Sekine
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and Waseda University
Downloads 18 (1,470,786)

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Strong metal-support interaction (SMSI), Pd catalyst, Reduction temperature, Chemoselective hydrogenation, Supported catalyst, CO adsorption

4.

Quantum chemical approach for condensed-phase thermochemistry (VI): harmonic solvation model with Gaussian-charge polarizable continuum model

Number of pages: 34 Posted: 14 Mar 2026
Takuya Hashimoto and Hiromi Nakai
affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 15 (1,500,778)

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Condensed-phase thermochemistry, Quantum chemistry, Harmonic solvation model, Gaussian-charge scheme