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Published in 2018 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-018-3794-5
Abstract: This paper defines the construction of a sequence of functions that might be used to geometrically characterize any GTO set employed in any molecular calculation. Such functions characterizing a basis set act as molecular statistical-like…
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Keywords:
like signature;
basis set;
basis;
signature molecular ... See more keywords