Density Functional Study on Compounds to Accelerate the Electron Capture Decay of 7Be

2021 ◽  
Author(s):  
Akira Yoshida ◽  
Minori Abe ◽  
Masahiko Hada
Keyword(s):  
Electron Capture ◽  
Density Functional ◽  
Functional Study ◽  
Electron Capture Decay ◽  
Density Functional Study

Sensitive electron capture decay rate of 7Be encapsulated in carbon nanotubes: A density functional study

2013 ◽  
Vol 561-562 ◽  
pp. 137-141 ◽  
Author(s):  
Shota Ono ◽  
Riichi Kuwahara ◽  
Tsuguo Morisato ◽  
Kaoru Ohno
Keyword(s):  
Carbon Nanotubes ◽  
Decay Rate ◽  
Electron Capture ◽  
Density Functional ◽  
Functional Study ◽  
Electron Capture Decay ◽  
Density Functional Study

Combinedab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide

10.1002/jcc.5 ◽  
1996 ◽  
Vol 17 (16) ◽  
pp. 1848-1856 ◽  
Author(s):  
Guntram Rauhut
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

Density Functional Study of the First-Row Transition-Metal Monoxides*

1996 ◽  
Vol 1 (1) ◽  
pp. 39-49
Author(s):  
J. Piechota ◽  
M. Suffczyński
Keyword(s):  
Transition Metal ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

Electronic structure of oxide, peroxide, and superoxide clusters of the 3d elements: A comparative density functional study

2008 ◽  
Vol 128 (9) ◽  
pp. 094307 ◽  
Author(s):  
Ellie L. Uzunova ◽  
Hans Mikosch ◽  
Georgi St. Nikolov
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
3D Elements

scholarly journals Density functional study of non-isothermal hard sphere fluids

2021 ◽  
pp. e1875077
Author(s):  
Wenhan Jia ◽  
Isamu Kusaka
Keyword(s):  
Hard Sphere ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

scholarly journals Density Functional Study of Metal-to-Ligand Charge Transfer and Hole-Hopping in Ruthenium(II) Complexes with Alkyl-Substituted Bipyridine Ligands

ACS Omega ◽  
2020 ◽  
Author(s):  
Salmahaminati ◽  
Minori Abe ◽  
Indra Purnama ◽  
Jacob Yan Mulyana ◽  
Masahiko Hada
Keyword(s):  
Charge Transfer ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Ligand Charge Transfer

scholarly journals Effect of the number of nitrogen dopants on the electronic and magnetic properties of graphitic and pyridinic N-doped graphene – a density-functional study

RSC Advances ◽  
2021 ◽  
Vol 11 (30) ◽  
pp. 18371-18380
Author(s):  
Erik Bhekti Yutomo ◽  
Fatimah Arofiati Noor ◽  
Toto Winata
Keyword(s):  
Magnetic Properties ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Electronic And Magnetic Properties ◽  
Doped Graphene ◽  
Dopant Atoms ◽  
Pyridinic N

The number of dopant atoms is a parameter that can effectively tune the electronic and magnetic properties of graphitic and pyridinic N-doped graphene.

scholarly journals Density functional study of self-diffusion along an isolated screw dislocation in fcc Ni

2019 ◽  
Vol 3 (3) ◽  
Author(s):  
Luke J. Wirth ◽  
Amir A. Farajian ◽  
Christopher Woodward
Keyword(s):  
Screw Dislocation ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Self Diffusion
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