Ligand and Solvent Effects on the Structural and Optical Properties of Au13L8 3+ Clusters: a Density Functional Theory Study

Journal of the Brazilian Chemical Society ◽

10.21577/0103-5053.20190041 ◽

2019 ◽

Author(s):

Edna Machado ◽

Nailton Rodrigues ◽

Marcus Prado ◽

José Dutra ◽

Nivan da Costa ◽

...

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Solvent Effects ◽

Density Functional ◽

Density Functional Theory Study ◽

Structural And Optical Properties ◽

Functional Theory

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Density functional theory study of the structural and optical properties of lithium azide

Chemical Physics Letters ◽

10.1016/j.cplett.2006.02.017 ◽

2006 ◽

Vol 422 (1-3) ◽

pp. 117-121 ◽

Author(s):

Weihua Zhu ◽

Jijun Xiao ◽

Heming Xiao

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Structural And Optical Properties ◽

Functional Theory

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Density functional theory study of structural, electronic and optical properties of cobalt-doped BaSnO3

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2021.106220 ◽

2022 ◽

Vol 137 ◽

pp. 106220

Author(s):

S. Chahib ◽

D. Fasquelle ◽

G. Leroy

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Optical Properties

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A Density Functional Theory Study on Nonlinear Optical Properties of Double Cage Excess Electron Compounds: Theoretically Design M[Cu(Ag)@(NH 3 ) n ](M = Be, Mg and Ca; n = 1–3)

Journal of Computational Chemistry ◽

10.1002/jcc.25371 ◽

2018 ◽

Vol 40 (9) ◽

pp. 971-979 ◽

Author(s):

Yan Ying Liang ◽

Bo Li ◽

Xuan Xu ◽

Feng Long Gu ◽

Chaoyuan Zhu

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Excess Electron ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electron Compounds

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The effect of oxide shell thickness on the structural, electronic, and optical properties of Si-SiO2 core-shell nano-crystals: A (time dependent)density functional theory study

Journal of Applied Physics ◽

10.1063/1.4945392 ◽

2016 ◽

Vol 119 (14) ◽

pp. 144302 ◽

Author(s):

Sanaz Nazemi ◽

Mahdi Pourfath ◽

Ebrahim Asl Soleimani ◽

Hans Kosina

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Shell Thickness ◽

Time Dependent ◽

Oxide Shell ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Density functional theory study of electronic and optical properties of ScN nitride in NaCl-B1, CsCl-B2, ZB-B3 and NiAs-B8 phases

Bulletin of Materials Science ◽

10.1007/s12034-021-02601-4 ◽

2022 ◽

Vol 45 (1) ◽

Author(s):

Bhila Oliver Mnisi

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Optical Properties

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Density Functional Theory Study on the Electronic Structure and Optical Properties of Sb-doped SnO2

Laser & Optoelectronics Progress ◽

10.3788/lop52.081601 ◽

2015 ◽

Vol 52 (8) ◽

pp. 081601 ◽

Author(s):

邵婷婷 Shao Tingting ◽

张富春 Zhang Fuchun ◽

崔红卫 Cui Hongwei

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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A density functional theory study of structural, electronic and optical properties of 9-atom silver‒copper clusters

Materials Today Communications ◽

10.1016/j.mtcomm.2020.101248 ◽

2020 ◽

Vol 25 ◽

pp. 101248

Author(s):

Weiyin Li ◽

Lingling Ding ◽

Kai Wang ◽

Wenjing Wang ◽

Sha Zhang

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Optical Properties ◽

Copper Clusters ◽

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Density functional theory study of electronic structure and optical properties of YGa2

Computational Materials Science ◽

10.1016/j.commatsci.2020.109898 ◽

2020 ◽

Vol 184 ◽

pp. 109898

Author(s):

M. Sahakyan ◽

V.H. Tran

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of the electronic and optical properties of Si incorporated SnO2

AIP Advances ◽

10.1063/1.5124076 ◽

2019 ◽

Vol 9 (11) ◽

pp. 115104

Author(s):

Honglong Ning ◽

Xianzhe Liu ◽

Haiguang Ruan ◽

Cheng Peng ◽

Fuxiang Huang ◽

...

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Optical Properties

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Investigation of the electronic, magnetic and optical properties of ${\sf Co}_{\sf 2}{\sf CrZ}$ (Z = Si, Ge) under pressure—a density functional theory study

Physica Scripta ◽

10.1088/0031-8949/89/01/015801 ◽

2013 ◽

Vol 89 (1) ◽

pp. 015801 ◽

Author(s):

K Seema ◽

Ranjan Kumar

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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