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Auxiliary Rather Than Dominant. The Role of Direct Dy-S Coordination in Single-Molecule Magnet Unveiled via ab initio Study.
Wang, Yu-Fei; Wang, Yu-Xi; Yang, Qi-Qi; Yin, Bing.
Affiliation
  • Wang YF; Key Laboratory of Synthetic and Natural Functional Molecule of the Ministry of Education, Lab of Theoretical Molecular Magnetism, College of Chemistry and Materials Science, Northwest University, Xi'an 710127 P. R. China.
  • Wang YX; Key Laboratory of Synthetic and Natural Functional Molecule of the Ministry of Education, Lab of Theoretical Molecular Magnetism, College of Chemistry and Materials Science, Northwest University, Xi'an 710127 P. R. China.
  • Yang QQ; Key Laboratory of Synthetic and Natural Functional Molecule of the Ministry of Education, Lab of Theoretical Molecular Magnetism, College of Chemistry and Materials Science, Northwest University, Xi'an 710127 P. R. China.
  • Yin B; Key Laboratory of Synthetic and Natural Functional Molecule of the Ministry of Education, Lab of Theoretical Molecular Magnetism, College of Chemistry and Materials Science, Northwest University, Xi'an 710127 P. R. China.
J Phys Chem A ; 128(27): 5285-5297, 2024 Jul 11.
Article in En | MEDLINE | ID: mdl-38950340
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Phys Chem A Journal subject: QUIMICA Year: 2024 Document type: Article Country of publication: United States
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Phys Chem A Journal subject: QUIMICA Year: 2024 Document type: Article Country of publication: United States