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RESEARCH PAPER · Dalton Transactions · 2022

Anionic ordering in Pb 2 Ti 4 O 9 F 2 revisited by nuclear magnetic resonance and density functional theory

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Anionic ordering in Pb 2 Ti 4 O 9 F 2 revisited by nuclear magnetic resonance and density functional theoryOriginalReduction of a Band Gap and Visible-Light Photocatalytic Activity Induced by the Interaction between 6s and 2p Orbitals known as Revised Lone Pair Model0Locality error free effective core potentials for 3d transition metal elements developed for the diffusion Monte Carlo method8Negative Thermal Expansion in Metastable PbVO 3 : High‐Pressure Synthesis, Advances, and Perspectives7

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  1. Reduction of a Band Gap and Visible-Light Photocatalytic Activity Induced by the Interaction between 6s and 2p Orbitals known as Revised Lone Pair Model

    Journal of the Japan Society of Colour Material · 2023-05-20

    Kengo Oka, Naoki Noma, Mitsunobu Iwasaki

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  2. Locality error free effective core potentials for 3d transition metal elements developed for the diffusion Monte Carlo method

    The Journal of Chemical Physics · 2023-10-27

    Tom Ichibha, Yutaka Nikaido, M. Chandler Bennett, Jaron T. Krogel, Kenta Hongo, Ryo Maezono, Fernando Agustín Reboredo

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  3. Negative Thermal Expansion in Metastable PbVO 3 : High‐Pressure Synthesis, Advances, and Perspectives

    cMat · 2025-10-27

    Zhao Pan, Takumi Nishikubo, Hajime Yamamoto, Xubin Ye, Masaki Azuma, Youwen Long

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