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발행년	- (예 : 2010-2015)

Silicon Clathrate-Supported Catalysts with Low Work Functions for Ammonia Synthesis

Academic Journal

Al Maksoud, W.; Bacha, R.U.S.; Pixius, J.-M.; M., V.; Vaishnav, Y.; Rai, R.K.; Kobayashi, Y.; Hedhili, M.N.; Wang, Q.

In: Advanced Materials. (Advanced Materials, 2024)

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Theoretical Investigation of Catalytic Water Splitting by the Arene-Anchored Actinide Complexes

Academic Journal

Yang, Z.-C.; Cai, H.-X.; Bacha, R.U.S.; Pan, Q.-J.; Ding, S.-D.

In: Inorganic Chemistry. (Inorganic Chemistry, 1 August 2022, 61(30):11715-11724)

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Nitrogen reduction to ammonia triggered by heterobimetallic uranium-group 10 metal complexes of phosphinoaryl oxides: A relativistic DFT study

Academic Journal

Bacha, R.U.S.; Pan, Q.-J.; Su, D.-M.

In: Molecular Catalysis. (Molecular Catalysis, June 2022, 525)

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CO2 Cleavage Reaction Driven by Alkylidyne Complexes of Group 6 Metals and Uranium: A Density Functional Theory Study on Energetics, Reaction Mechanism, and Structural/Bonding Properties

Academic Journal

Cai, H.-X.; Bacha, R.u.s.; Pan, Q.-J.; Su, D.-M.

In: Inorganic Chemistry. (Inorganic Chemistry, 20 December 2021, 60(24):18859-18869)

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A DFT study on carbon dioxide reduction of low-valent diuranium complex supported by a polypyrrolic macrocycle

Academic Journal

Cai, H.-X.; Su, D.-M.; Zhao, H.-B.; Bacha, R.U.S.; Pan, Q.-J.; Guo, Y.-R.

In: Chemical Physics Letters. (Chemical Physics Letters, August 2021, 776)

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Relativistic DFT Probe for Reaction Energies and Electronic/Bonding Properties of Polypyrrolic Hetero-Bimetallic Actinide Complexes: Effects of Uranyl endo-Oxo Functionalization

Academic Journal

Zheng, X.-J.; Bacha, R.U.S.; Pan, Q.-J.; Su, D.-M.

In: Inorganic Chemistry. (Inorganic Chemistry, 19 April 2021, 60(8):5747-5756)

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Main-group metals stabilized polypyrrolic uranyl(V) complexes via cation−cation interaction with the uranyl exo-oxo atom: A relativistic density functional theory study

Academic Journal

Zheng, X.-J.; Pan, Q.-J.; Bacha, R.U.S.; Su, D.-M.

In: Inorganic Chemistry. (Inorganic Chemistry, 21 December 2020, 59(24):18018-18026)

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Atomic uranium modified graphdiyne as catalytic material for hydrogen evolution reaction: An interfacial descriptor led mechanistic study

Academic Journal

Bacha, R.U.S.; Cai, H.-X.; Pan, Q.-J.; Wang, J.-Q.

In: International Journal of Hydrogen Energy. (International Journal of Hydrogen Energy, 21 September 2020, 45(46):24604-24614)

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Inverse Trans Influence in Low-Valence Actinide-Group 10 Metal Complexes of Phosphinoaryl Oxides: A Theoretical Study via Tuning Metals and Donor Ligands

Academic Journal

Bacha, R.U.S.; Bi, Y.-T.; Xuan, L.-C.; Pan, Q.-J.

In: Inorganic Chemistry. (Inorganic Chemistry, 5 August 2019, 58(15):10028-10037)

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