Anab initio theoretical study of electronic structure and properties of 2?-deoxyguanosine in gas phase and aqueous media

2002 ◽  
Vol 23 (5) ◽  
pp. 530-540 ◽  
Author(s):  
S. K. Mishra ◽  
P. C. Mishra
Keyword(s):  
Electronic Structure ◽  
Gas Phase ◽  
Theoretical Study ◽  
Aqueous Media ◽  
Structure And Properties

NEXAFS and XPS studies of nitrosyl chloride

2015 ◽  
Vol 17 (14) ◽  
pp. 9040-9048 ◽  
Author(s):  
Luca Schio ◽  
Cui Li ◽  
Susanna Monti ◽  
Peter Salén ◽  
Vasyl Yatsyna ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Fine Structure ◽  
Gas Phase ◽  
Theoretical Study ◽  
Nitrosyl Chloride ◽  
X Ray ◽  
Absorption Fine ◽  
Nexafs Spectroscopy ◽  
X Ray Absorption

The electronic structure of nitrosyl chloride (ClNO) has been investigated in the gas phase by X-ray Photoelectron (XPS) and Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy at the Cl 2p, Cl 2s, N 1s and O 1s edges in a combined experimental and theoretical study.

scholarly journals Theoretical study of atomic relaxation, surface energy, electronic structure and properties of B2- and B19'-NiTi surfaces

2019 ◽  
Vol 68 (5) ◽  
pp. 053101
Author(s):  
Lu Chen ◽  
Ye-Fei Li ◽  
Qiao-Ling Zheng ◽  
Qing-Kun Liu ◽  
Yi-Min Gao ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Surface Energy ◽  
Theoretical Study ◽  
Structure And Properties ◽  
Atomic Relaxation

Theoretical study on the electronic structure and properties of synthetic MoFe3S3 compounds

2001 ◽  
Vol 85 (4-5) ◽  
pp. 469-474 ◽  
Author(s):  
K. K. Stavrev ◽  
S. Urahata ◽  
T. Herz ◽  
J. Han ◽  
D. Coucouvanis
Keyword(s):  
Electronic Structure ◽  
Theoretical Study ◽  
Structure And Properties
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