Optical and nonlinear optical properties of Ln (Tp) 2, where Ln= La,…, Lu and Tp= tris (pyrazolyl) borate: a DFT+ TD-DFT study
D Hannachi, MF Haroun, A Khireddine… - New Journal of …, 2019 - pubs.rsc.org
The molecular structure of Ln (Tp) 2 (where Ln= La to Lu rare earths and Tp= ring-
unsubstituted tris (pyrazolyl) borate) complexes is determined by DFT calculations at …
unsubstituted tris (pyrazolyl) borate) complexes is determined by DFT calculations at …
Understanding the molecular orientation growth on a nanometer scale and adjustable electron transition performance of a terpyridyl derivative under different external …
HY Wang, L Kong, SJ Zhu, HP Zhou, JX Yang - CrystEngComm, 2019 - pubs.rsc.org
In this study, a terpyridyl derivative 2-(6-(pyridin-2-yl)-4-(4-((E)-2-(pyridin-4-yl)-vinyl) phenyl)
pyridin-2-yl) pyridine (abbreviated as PYTPY) has been designed and prepared with an A–π …
pyridin-2-yl) pyridine (abbreviated as PYTPY) has been designed and prepared with an A–π …
Lanthanides, lanterns, and lone pairs: computational studies of inorganic complexes
AS Hyre - 2020 - search.proquest.com
Computational work was performed to support several synthetic projects in the Doerrer lab.
The new luminescent cerium complexes [K (THF) 6][Ce (OC 4 F9) 4 (THF) 2](20) and [K …
The new luminescent cerium complexes [K (THF) 6][Ce (OC 4 F9) 4 (THF) 2](20) and [K …