Articles with "molecules ionicity" as a keyword



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Ab initio calculations of the XI molecules (X = Li, Na, K, Rb) with the ionicity and laser cooling analysis

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Published in 2020 at "Canadian Journal of Physics"

DOI: 10.1139/cjp-2018-0908

Abstract: For the alkali iodide molecules LiI, NaI, KI, and RbI, ab initio CASSCF/(MRCI+Q) calculations have been employed to investigate the adiabatic potential energy curves and the static dipole moment cu... read more here.

Keywords: calculations molecules; molecules ionicity; laser cooling; cooling analysis ... See more keywords