First-Principles Study of Electronic Structure and Optical Properties of Silicon/Carbon Nanotube
Wenyu Wang, Jiangang Xu, Yunguang Zhang, Guixia Li

Comput. Chem. Vol.5 No.4, October 27, 2017
DOI:10.4236/cc.2017.54013

Structural and Spectral (IR, NMR and UV/Visible) Properties of Newly Designed Boronic Acid Derivatives Containing DO3A Sensitive to Uranyl Ion: A DFT and TD-DFT Study
Kübra Sarikavak, Fatma Sevin

Comput. Chem. Vol.5 No.4, October 16, 2017
DOI:10.4236/cc.2017.54012