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Good computational practice in the assignment of absolute configurations by TDDFT calculations of ECD spectra
Publication year - 2016
Publication title -
chirality
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.43
H-Index - 77
eISSN - 1520-636X
pISSN - 0899-0042
DOI - 10.1002/chir.22652
Subject(s) - time dependent density functional theory , spectral line , chemistry , physics , density functional theory , computational chemistry , quantum mechanics
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