Structural, Electronic, and Nonlinear Optical Properties of C(66)H(4) and C(70)Cl(6) Encapsulating Li and F Atoms.
Zhang Y, Zheng Z, Si Y, Sa B, Li H, Yu T, Wen C, Wu B.
Zhang Y, et al. Among authors: li h.
ACS Omega. 2021 Jun 14;6(24):16234-16240. doi: 10.1021/acsomega.1c02364. eCollection 2021 Jun 22.
ACS Omega. 2021.
PMID: 34179667
Free PMC article.
Inspired by these experimental achievements, the structural and electronic properties of C(66)H(4), C(70)Cl(6), Li@C(66)H(4), F@C(66)H(4), Li@C(70)Cl(6), and F@C(70)Cl(6) were systematical studied through density functional theory calculations i …
Inspired by these experimental achievements, the structural and electronic properties of C(66)H(4), C(70)Cl(6), Li@C(66)H …