scholarly journals Electronic structure of the diatomic VO anion: A combined photoelectron-imaging spectroscopic and theoretical investigation

2016 ◽  
Vol 94 (6) ◽  
Author(s):  
Shi-Bo Cheng ◽  
Christopher L. Harmon ◽  
Huan Yang ◽  
A. W. Castleman
Keyword(s):  
Electronic Structure ◽  
Theoretical Investigation ◽  
Photoelectron Imaging

scholarly journals A combined photoelectron-imaging spectroscopic and theoretical investigation on the electronic structure of the VO2H anion

RSC Advances ◽  
2021 ◽  
Vol 11 (31) ◽  
pp. 18729-18736
Author(s):  
Yongtian Wang ◽  
Changcai Han ◽  
Jing Hong ◽  
Zejie Fei ◽  
Changwu Dong ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Theoretical Investigation ◽  
Ground State ◽  
Electronic Configuration ◽  
Photoelectron Imaging

The PES of VO2H− was detected at 814 nm. The electronic configuration of anionic and neutral of VO2H is 4A′′ and 3A′′, respectively. The electron was detached from the s-type 17a′ MO of the anionic ground state of VO2H.

Photophysical Properties of N-Methyl and N-Acetyl Substituted Alloxazine: A Theoretical Investigation

2021 ◽  
Author(s):  
Huimin Guo ◽  
Xiaolin Ma ◽  
Zhiwen Lei ◽  
Yang Qiu ◽  
Bernhard Dick ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Theoretical Investigation ◽  
Density Functional ◽  
Photophysical Properties ◽  
Time Dependent ◽  
Functional Theory ◽  
Td Dft ◽  
Dependent Density

The electronic structure and photophysical properties of a series of N-Methyl and N-Acetyl substituted alloxazine (AZs) were investigated with extensive density functional theory (DFT) and time-dependent density functional theory (TD-DFT)...

Sign in / Sign up

Export Citation Format

Share Document