Quantum chemical calculations of the structural influence on electronic properties in TiO2 nanocrystals

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Quantum chemical calculations of the structural influence on electronic properties in TiO2 nanocrystals

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im Februar 2017 veröffentlichter wissenschaftlicher Artikel

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wetenschappelijk artikel

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наукова стаття, опублікована в лютому 2017

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Quantum chemical calculations ...... roperties in TiO2 nanocrystals

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Quantum chemical calculations ...... roperties in TiO2 nanocrystals

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Quantum chemical calculations ...... roperties in TiO2 nanocrystals

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Quantum chemical calculations ...... roperties in TiO2 nanocrystals

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Quantum chemical calculations ...... roperties in TiO2 nanocrystals

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Quantum chemical calculations ...... roperties in TiO2 nanocrystals

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P1476

Quantum chemical calculations ...... roperties in TiO2 nanocrystals

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P2093

Marta Gałyńska

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P2860

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

Density-functional exchange-energy approximation with correct asymptotic behavior

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

Generalized Gradient Approximation Made Simple

Systematic optimization of long-range corrected hybrid density functionals

The surface science of titanium dioxide

Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

Photodriven heterogeneous charge transfer with transition-metal compounds anchored to TiO2 semiconductor surfaces.

Density functional theory for transition metals and transition metal chemistry.

Phase-pure TiO(2) nanoparticles: anatase, brookite and rutile.

P304

2209-2217

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P31

scholarly article

P356

10.1080/00268976.2017.1281456

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P433

17-18

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P478

115

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P50

Petter Persson

P577

2017-02-13T00:00:00Z

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