๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Ab initio HF and density-functional theory studies on the structure and vibrational frequency of huperzine A

โœ Scribed by Wei-Liang Zhu; Hua-Liang Jiang; Jian-De Gu; Jian-Zhong Chen; Jing-Kang Shen; Kai-Xian Chen; Ru-Yun Ji; Yang Cao


Book ID
114143493
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
119 KB
Volume
488
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Vibrational spectroscopy investigation u
โœ Li Xiao-Hong; Zhang Xian-Zhou ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier ๐ŸŒ English โš– 298 KB

Quantum chemical calculations of the equilibrium geometry, harmonic vibrational frequencies, infrared intensities and Raman scattering activities of 2,4,6-trinitrophenol (TNP, C 6 H 3 N 3 O 7 ) in the ground state were carried out by using ab initio HF and density functional theory (DFT/B3LYP) metho