Performance of exchange–correlation functionals on describing ground state geometries and excitations of Alizarin Red S: Effect of complexation and degree of deprotonation

标题
Performance of exchange–correlation functionals on describing ground state geometries and excitations of Alizarin Red S: Effect of complexation and degree of deprotonation
作者
关键词
-
出版物
Computational and Theoretical Chemistry
Volume 1045, Issue -, Pages 113-122
出版商
Elsevier BV
发表日期
2014-07-12
DOI
10.1016/j.comptc.2014.06.025

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