화학공학소재연구정보센터
검색결과 : 2건
No. Article
1 Calculation of Chemical Reaction Barrier Heights by Multiconfiguration Pair-Density Functional Theory with Correlated Participating Orbitals
Sand AM, Kidder KM, Truhlar DG, Gagliardi L
Journal of Physical Chemistry A, 123(45), 9809, 2019
2 Modulating the Electronic Structure of Chromophores by Chemical Substituents for Efficient Energy Transfer: Application to Fluorone
Sand AM, Liu C, Valentine AJS, Mazziotti DA
Journal of Physical Chemistry A, 118(31), 6085, 2014