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Published in 2021 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2020.113097
Abstract: Abstract In this paper, ab initio potential energy curves of the first two lowest dissociation channels of AlS have been calculated by using the complete active space self-consistent field (CASSCF) and the internally contracted multireference…
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Keywords:
als molecule;
states als;
mrci study;
transition properties ... See more keywords