화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 Real-Time Time-Dependent Electronic Structure Theory
Li XS, Govind N, Isborn C, DePrince AE, Lopata K
Chemical Reviews, 120(18), 9951, 2020
2 Radical Dimerization in a Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis
Dragulescu-Andrasi A, Filatov AS, Oakley RT, Li X, Lekin K, Huq A, Pak C, Greer SM, McKay J, Jo M, Lengyel J, Hung I, Maradzike E, DePrince AE, Stoian SA, Hill S, Hu YY, Shatruk M
Journal of the American Chemical Society, 141(45), 17989, 2019
3 Molecular Geometries and Harmonic Frequencies from the Parametric Two-Electron Reduced Density Matrix Method with Application to the HCN <-> HNC Isomerization
DePrince AE, Mazziotti DA
Journal of Physical Chemistry B, 112(50), 16158, 2008