Structural and electronic properties of ScnOm(n=1−3,m=1−2n) clusters: Theoretical study using screened hybrid density functional theory

Electronic Properties ◽

Density Functional ◽

Theoretical Study ◽

Functional Theory ◽

Structural and electronic properties of UnOm (n=1-3,m=1-3n) clusters: A theoretical study using screened hybrid density functional theory

The Journal of Chemical Physics ◽

10.1063/1.4948779 ◽

2016 ◽

Vol 144 (18) ◽

pp. 184304 ◽

Cited By ~ 5

Author(s):

Yu Yang ◽

Haitao Liu ◽

Ping Zhang

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Theoretical Study ◽

Functional Theory ◽

Erratum: “Structural and electronic properties of UnOm (n=1-3, m=1-3n) clusters: A theoretical study using screened hybrid density functional theory” [J. Chem. Phys. 144, 184304 (2016)]

The Journal of Chemical Physics ◽

10.1063/5.0007294 ◽

2020 ◽

Vol 152 (13) ◽

pp. 139901

Author(s):

Yu Yang ◽

Haitao Liu ◽

Ping Zhang

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Theoretical Study ◽

Chem Phys ◽

Functional Theory ◽

Structural and electronic properties of nanosize semiconductor HfSin0/−/2− (n = 6–16) material: a double-hybrid density functional theory investigation

Journal of Molecular Modeling ◽

10.1007/s00894-020-04352-1 ◽

2020 ◽

Vol 26 (4) ◽

Cited By ~ 1

Author(s):

Caixia Dong ◽

Jucai Yang ◽

Jun Lu

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Theory ◽

Structural and electronic properties of nanosize semiconductor CeSi0/− (n = 4–20) material: A double-hybrid density functional theory investigation

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2019.112635 ◽

2019 ◽

Vol 1170 ◽

pp. 112635 ◽

Cited By ~ 1

Author(s):

Yaqing Chen ◽

Jucai Yang ◽

Caixia Dong

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Theory ◽

A comprehensive study ofg-factors, elastic, structural and electronic properties of III-V semiconductors using hybrid-density functional theory

Journal of Applied Physics ◽

10.1063/1.5018325 ◽

2018 ◽

Vol 123 (6) ◽

pp. 065702 ◽

Cited By ~ 10

Author(s):

Carlos M. O. Bastos ◽

Fernando P. Sabino ◽

Guilherme M. Sipahi ◽

Juarez L. F. Da Silva

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Theory ◽

Hybrid Density Functional ◽

Comprehensive Study

Thickness dependent structural and electronic properties of CuO grown on SrTiO3(100): a hybrid density functional theory study

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/23/4/045004 ◽

2010 ◽

Vol 23 (4) ◽

pp. 045004 ◽

Cited By ~ 6

Author(s):

C Franchini ◽

Xing-Qiu Chen ◽

R Podloucky

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

F and M centers in alkali halides: A theoretical study applying self-consistent dielectric-dependent hybrid density functional theory

Physical Review B ◽

10.1103/physrevb.102.184108 ◽

2020 ◽

Vol 102 (18) ◽

Author(s):

Michael Häfner ◽

Thomas Bredow

Keyword(s):

Density Functional ◽

Theoretical Study ◽

Alkali Halides ◽

Functional Theory ◽

Self Consistent ◽

Covalency in the actinide dioxides: Systematic study of the electronic properties using screened hybrid density functional theory

Physical Review B ◽

10.1103/physrevb.76.033101 ◽

2007 ◽

Vol 76 (3) ◽

Cited By ~ 233

Author(s):

Ionut D. Prodan ◽

Gustavo E. Scuseria ◽

Richard L. Martin

Keyword(s):

Electronic Properties ◽

Systematic Study ◽

Density Functional ◽

Functional Theory ◽

A hybrid density functional theory study of the anion distribution and applied electronic properties of the LaTiO2N semiconductor photocatalyst

Physical Chemistry Chemical Physics ◽

10.1039/c5cp02606g ◽

2015 ◽

Vol 17 (29) ◽

pp. 19631-19636 ◽

Cited By ~ 9

Author(s):

Xin Wang ◽

Zhaosheng Li ◽

Zhigang Zou

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Anion Distribution ◽

Hybrid Density Functional ◽

Semiconductor Photocatalyst

The LaTiO2N structure is theoretically obtained as aperiodic stacks of primitive cells.

Theoretical study on structural and electronic properties of solid anthracene under high pressure by density functional theory

Molecular Physics ◽

10.1080/00268976.2015.1099753 ◽

2015 ◽

Vol 114 (2) ◽

pp. 283-289 ◽

Cited By ~ 6

Author(s):

Ling-Ping Xiao ◽

Guo-Hua Zhong ◽

Zhi Zeng ◽

Xiao-Jia Chen

Keyword(s):

Structural And Electronic Properties

High Pressure ◽

Electronic Properties ◽

Density Functional ◽

Theoretical Study ◽

Functional Theory ◽