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• W2063060768 endingPage "580" @default.
• W2063060768 startingPage "566" @default.
• W2063060768 abstract "We report the study of small lithium clusters Lin(0/+1/)(-)(1) (n = 5-7), performed via the novel Gradient Embedded Genetic Algorithm (GEGA) technique and molecular orbital analysis. GEGA was developed for searching of the lowest-energy structures of clusters. Results of our search, obtained using this program, have been compared with the previous ab initio calculations, and the efficiency of the developed GEGA method has thus been confirmed. The molecular orbital analysis of the found Lin(0/+1/)(-)(1) (n = 5-7) clusters showed the presence of multiple (σ and π) aromatic character in their chemical bonding, which governs their preferable shapes and special stability." @default.
• W2063060768 created "2016-06-24" @default.
• W2063060768 creator A5000151397 @default.
• W2063060768 creator A5058523056 @default.
• W2063060768 date "2005-06-11" @default.
• W2063060768 modified "2023-09-30" @default.
• W2063060768 title "Search for the Li<i>_n</i>^0/+1/-1 (<i>n</i> = 5−7) Lowest-Energy Structures Using the ab Initio Gradient Embedded Genetic Algorithm (GEGA). Elucidation of the Chemical Bonding in the Lithium Clusters" @default.
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• W2063060768 doi "https://doi.org/10.1021/ct050093g" @default.
• W2063060768 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26641677" @default.
• W2063060768 hasPublicationYear "2005" @default.
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