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Date of Publication:2022-10-02
Journal:FRONTIERS IN CHEMISTRY
Volume:9
ISSN No.:2296-2646
Key Words:"hydrated calcium ion cluster; genetic algorithm; hydrogen bond; coordination number; natural bond orbital"
Pre One:Ground state structures, electronic and optical properties of medium-sized Na-n(+) (n=9, 15, 21, 26, 31, 36, 41, 50 and 59) clusters from ab initio genetic algorithm
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