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Theoretical Insights into the Reaction Mechanisms of CO Oxidation Catalyzed by Al12X (X = Be, Al, C, and P) Superatoms: The Number of Valence Electrons Determines?

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Title: Theoretical Insights into the Reaction Mechanisms of CO Oxidation Catalyzed by Al12X (X = Be, Al, C, and P) Superatoms: The Number of Valence Electrons Determines?
Authors: Ye YL; Higher Educational Key Laboratory for Nano Biomedical Technology of Fujian Province, Fujian Key Laboratory of Drug Target Discovery and Structural and Functional Research, School of Pharmacy, Fujian Medical University, Fuzhou, Fujian 350122, People's Republic of China.; Department of Pharmacy, Nanping First Hospital Affiliated to Fujian Medical University, Nanping, Fujian 353006, People's Republic of China., Zhang XL; Higher Educational Key Laboratory for Nano Biomedical Technology of Fujian Province, Fujian Key Laboratory of Drug Target Discovery and Structural and Functional Research, School of Pharmacy, Fujian Medical University, Fuzhou, Fujian 350122, People's Republic of China.; Xiamen Medical College, Xiamen, Fujian 361023, People's Republic of China., Huang SY; Higher Educational Key Laboratory for Nano Biomedical Technology of Fujian Province, Fujian Key Laboratory of Drug Target Discovery and Structural and Functional Research, School of Pharmacy, Fujian Medical University, Fuzhou, Fujian 350122, People's Republic of China., Sun WM; Higher Educational Key Laboratory for Nano Biomedical Technology of Fujian Province, Fujian Key Laboratory of Drug Target Discovery and Structural and Functional Research, School of Pharmacy, Fujian Medical University, Fuzhou, Fujian 350122, People's Republic of China.
Source: The journal of physical chemistry. A [J Phys Chem A] 2025 Dec 11; Vol. 129 (49), pp. 11355-11364. Date of Electronic Publication: 2025 Nov 29.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9890903 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5215 (Electronic) Linking ISSN: 10895639 NLM ISO Abbreviation: J Phys Chem A Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1520-5215
DOI:10.1021/acs.jpca.5c07079