Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT.

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Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT.

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Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT.

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Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT.

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Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT.

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Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT.

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Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT.

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P1476

Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT.

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P2093

Cristiana Di Valentin

http://www.w3.org/2001/XMLSchema#string

Daniele Selli

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Gianluca Fazio

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P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Analytical molecular surface calculation

Density-functional thermochemistry. III. The role of exact exchange

Solvent-accessible surfaces of proteins and nucleic acids

Structure and stability of molybdenum sulfide fullerenes.

Titanium dioxide in the service of the biomedical revolution.

Titanium dioxide nanoparticles in advanced imaging and nanotherapeutics.

GW quasiparticle bandgaps of anatase TiO2 starting from DFT + U.

An Improved Self-Consistent-Charge Density-Functional Tight-Binding (SCC-DFTB) Set of Parameters for Simulation of Bulk and Molecular Systems Involving Titanium.

Ab Initio Investigation of Polyethylene Glycol Coating of TiO2 Surfaces.

P304

164701

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P31

scholarly article

P356

10.1063/1.4994165

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P407

English

P433

http://www.w3.org/2001/XMLSchema#string

P478

147

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P577

2017-10-01T00:00:00Z

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P698

29096504

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P818

1709.08884

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