화학공학소재연구정보센터
검색결과 : 2건
No. Article
1 Performance of Electronic Structure Methods for the Description of Huckel-Mobius Interconversions in Extended pi-Systems
Woller T, Banerjee A, Sylvetsky N, Santra G, Deraet X, De Proft F, Martin JML, Alonso M
Journal of Physical Chemistry A, 124(12), 2380, 2020
2 Minimally Empirical Double-Hybrid Functionals Trained against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4
Santra G, Sylvetsky N, Martin JML
Journal of Physical Chemistry A, 123(24), 5129, 2019