DNA-stabilized Ag–Au bimetallic clusters: the effects of alloying and embedding on optical properties

Global geometry optimization and time-dependent density functional theory calculations have been used to study the structural evolution and optical properties of AgnAun (n = 2–6) nanoalloys both as individual clusters and as clusters stabilized with the fragments of DNA of different size.

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Optical Properties of Silver Nanoshells from Time-Dependent Density Functional Theory Calculations

The Journal of Physical Chemistry C ◽

10.1021/jp5016565 ◽

2014 ◽

Vol 118 (23) ◽

pp. 12450-12458 ◽

Cited By ~ 23

Author(s):

Giovanni Barcaro ◽

Luca Sementa ◽

Alessandro Fortunelli ◽

Mauro Stener

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

Silver Nanoshells ◽

Dependent Density

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pH-Switchability and Second-Order Nonlinear Optical Properties of Monocyclopentadienylruthenium(II)/iron(II) Tetrazoles/Tetrazolates: Synthesis, Characterization, and Time-Dependent Density Functional Theory Calculations

Inorganic Chemistry ◽

10.1021/acs.inorgchem.7b00138 ◽

2017 ◽

Vol 56 (12) ◽

pp. 6849-6863 ◽

Cited By ~ 5

Author(s):

Pedro R. Florindo ◽

Paulo J. Costa ◽

M. F. M. Piedade ◽

M. Paula Robalo

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Nonlinear Optical ◽

Density Functional Theory Calculations ◽

Second Order ◽

Nonlinear Optical Properties ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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Studies on optical properties of Si220 nanoclusters via time-dependent density functional theory calculations

Chemical Research in Chinese Universities ◽

10.1007/s40242-016-6085-7 ◽

2016 ◽

Vol 32 (6) ◽

pp. 1028-1033 ◽

Cited By ~ 1

Author(s):

Wenhua Yang ◽

Wencai Lü ◽

Xuyan Xue ◽

Qingjun Zang ◽

Caizhuang Wang

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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Optical Properties ofN-Succinimidyl Bithiophene and the Effects of the Binding to Biomolecules: Comparison between Coupled-Cluster and Time-Dependent Density Functional Theory Calculations and Experiments

The Journal of Physical Chemistry B ◽

10.1021/jp067876y ◽

2007 ◽

Vol 111 (2) ◽

pp. 490-490 ◽

Cited By ~ 2

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Coupled Cluster ◽

Functional Theory ◽

Dependent Density

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Optical Properties ofN-Succinimidyl Bithiophene and the Effects of the Binding to Biomolecules: Comparison between Coupled-Cluster and Time-Dependent Density Functional Theory Calculations and Experiments

The Journal of Physical Chemistry B ◽

10.1021/jp062890w ◽

2006 ◽

Vol 110 (37) ◽

pp. 18651-18660 ◽

Cited By ~ 20

Author(s):

E. Fabiano ◽

F. Della Sala ◽

G. Barbarella ◽

S. Lattante ◽

M. Anni ◽

...

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Coupled Cluster ◽

Functional Theory ◽

Dependent Density

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Ground- and excited-state characteristics in photovoltaic polymer N2200

RSC Advances ◽

10.1039/d1ra01474a ◽

2021 ◽

Author(s):

Guanzhao Wen ◽

Xianshao Zou ◽

Rong Hu ◽

Jun Peng ◽

Zhifeng Chen ◽

...

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Steady State ◽

Excited States ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

Time Resolved ◽

Dependent Density

Ground- and excited-states properties of N2200 have been studied by steady-state and time-resolved spectroscopies as well as time-dependent density functional theory calculations.

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