Time-dependent density-functional study of the photoabsorption spectrum of Au25
(SC2
H4
C6
H5
)18
 anion: Validation of the computational protocol

Oscar Baseggio; Martina De Vetta; Giovanna Fronzoni; Daniele Toffoli; Mauro Stener; Luca Sementa; Alessandro Fortunelli

doi:10.1002/qua.25769

Time-dependent density-functional study of the photoabsorption spectrum of Au25 (SC2 H4 C6 H5 )18 anion: Validation of the computational protocol

International Journal of Quantum Chemistry ◽

10.1002/qua.25769 ◽

2018 ◽

Vol 118 (22) ◽

pp. e25769 ◽

Cited By ~ 4

Author(s):

Oscar Baseggio ◽

Martina De Vetta ◽

Giovanna Fronzoni ◽

Daniele Toffoli ◽

Mauro Stener ◽

...

Keyword(s):

Density Functional ◽

Time Dependent ◽

Functional Study ◽

Density Functional Study ◽

Photoabsorption Spectrum ◽

Computational Protocol ◽

Dependent Density

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10.1002/pssb.201046254 ◽

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Vol 248 (6) ◽

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Keyword(s):

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Point Defects ◽

Density Functional ◽

Time Dependent ◽

Functional Study ◽

Density Functional Study ◽

Defects In Semiconductors ◽

Dependent Density

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2019 ◽

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Sridhar Sahu

Keyword(s):

Optical Absorption ◽

Density Functional ◽

Time Dependent ◽

Functional Study ◽

Density Functional Study ◽

Cluster A ◽

Dependent Density

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Vol 83 (19) ◽

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Keyword(s):

Density Functional ◽

Molecular Junctions ◽

Time Dependent ◽

Functional Study ◽

Density Functional Study ◽

Dependent Density

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2002 ◽

Vol 359 (5-6) ◽

pp. 524-529 ◽

Cited By ~ 19

Author(s):

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Piet Th van Duijnen ◽

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Keyword(s):

Density Functional ◽

Time Dependent ◽

Functional Study ◽

Second Hyperpolarizability ◽

Density Functional Study ◽

Dependent Density

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Keyword(s):

Density Functional ◽

Time Dependent ◽

Functional Study ◽

Density Functional Study ◽

Electroluminescent Polymers ◽

Dependent Density

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10.1016/j.chemphys.2007.08.005 ◽

2008 ◽

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pp. 362-371 ◽

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Keyword(s):

Density Functional ◽

Organic Molecules ◽

Time Dependent ◽

Functional Study ◽

Density Functional Study ◽

Dependent Density

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Chemical Physics Letters ◽

10.1016/s0009-2614(01)01408-7 ◽

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pp. 469-474 ◽

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Author(s):

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Keyword(s):

Density Functional ◽

Time Dependent ◽

Functional Study ◽

Density Functional Study ◽

Dependent Density

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10.1063/1.2187490 ◽

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Vol 124 (17) ◽

pp. 174502 ◽

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Keyword(s):

Solvent Effect ◽

Density Functional ◽

Time Dependent ◽

Functional Study ◽

First Hyperpolarizability ◽

Density Functional Study ◽

Water Solvent ◽

Dependent Density

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10.1021/ja037373v ◽

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Keyword(s):

Density Functional ◽

Time Dependent ◽

Functional Study ◽

Density Functional Study ◽

Dependent Density

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10.1063/1.5113452 ◽

2019 ◽

Author(s):

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Sridhar Sahu

Keyword(s):

Optical Absorption ◽

Density Functional ◽

Time Dependent ◽

Functional Study ◽

Density Functional Study ◽

Dependent Density

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