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Chemically aware unitary coupled cluster with ab initio calculations on an ion trap quantum computer: A refrigerant chemicals’ application

The Journal of chemical physics, 2023-06, Vol.158 (21)

2023

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Trapping, self-trapping and the polaron family

Journal of physics. Condensed matter, 2007-06, Vol.19 (25), p.255208-255208 (22)

2007

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Negative oxygen vacancies in HfO2 as charge traps in high-k stacks

Applied physics letters, 2006-08, Vol.89 (8)

2006

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Theoretical prediction of intrinsic self-trapping of electrons and holes in monoclinic HfO2

Physical review letters, 2007-10, Vol.99 (15), p.155504-155504

2007

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Effect of trivalent dopants on local coordination and electronic structure in crystalline and amorphous ZnO

Thin solid films, 2014-03, Vol.555, p.117-121

2014

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Intrinsic and defect-assisted trapping of electrons and holes in HfO2 : an ab initio study

Microelectronic engineering, 2007-09, Vol.84 (9-10), p.2362-2365

2007

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Electronic structure and spectroscopic properties of interstitial anions in the nanoporous complex oxide 12CaO·7Al2O3

Physica status solidi. A, Applications and materials science, 2007-03, Vol.204 (3), p.663-669

2007

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Modelling of electron and hole trapping in oxides

Modelling and simulation in materials science and engineering, 2009-12, Vol.17 (8), p.084004-084004 (21)

2009

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Oxygen vacancies in cubic ZrO2 nanocrystals studied by an ab initio embedded cluster method

Physical review. B, Condensed matter and materials physics, 2008-12, Vol.78 (23), p.235432

2008

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Structure and spectroscopic properties of oxygen divacancy in yttrium-stabilized zirconia

Journal of physics. Conference series, 2008-06, Vol.117 (1), p.012022

2008

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Theoretical Prediction of Intrinsic Self-Trapping of Electrons and Holes in Monoclinic HfO 2

Physical review letters, 2007-10, Vol.99 (15), Article 155504

2007

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Electronic structure and spectroscopic properties of interstitial anions in the nanoporous complex oxide 12CaO·7Al 2 O 3

Physica status solidi. A, Applications and materials science, 2007-03, Vol.204 (3), p.663-669

2007

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Intrinsic and defect-assisted trapping of electrons and holes in HfO 2: an ab initio study

Microelectronic engineering, 2007, Vol.84 (9), p.2362-2365

2007

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Models of triplet self-trapped excitons in SiO 2 , HfO 2 , and HfSiO 4

Physical review. B, Condensed matter and materials physics, 2012-01, Vol.85 (2), Article 024120

2012

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Negative oxygen vacancies in Hf O 2 as charge traps in high- k stacks

Applied physics letters, 2006-08, Vol.89 (8), p.082908-082908-3

2006

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Ab initio study of charge trapping and dielectric properties of Ti-doped HfO 2

Physical review. B, Condensed matter and materials physics, 2009-01, Vol.79 (3), Article 035306

2009

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Oxygen vacancies in cubic ZrO 2 nanocrystals studied by an ab initio embedded cluster method

Physical review. B, Condensed matter and materials physics, 2008-12, Vol.78 (23), Article 235432

2008

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Spectroscopic properties of oxygen vacancies in monoclinic Hf O 2 calculated with periodic and embedded cluster density functional theory

Physical review. B, Condensed matter and materials physics, 2007-05, Vol.75 (20), Article 205336

2007

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Models of triplet self-trapped excitons in SiO sub(2), HfO sub(2), and HfSiO sub(4)

Physical review. B, Condensed matter and materials physics, 2012-01, Vol.85 (2), p.024120-024120

2012

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Electronic structure and spectroscopic properties of interstitial anions in the nanoporous complex oxide 12CaO7Al2O3

Physica status solidi. A, Applied research, 2007-03, Vol.204 (3), p.663-669

2007

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The effect of defects and disorder on the electronic properties of ZnIr2O4

The Journal of chemical physics, 2014-08, Vol.141 (8), p.084704-084704

2014

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Primary Prevention of Cardiovascular Disease with a Mediterranean Diet Supplemented with Extra-Virgin Olive Oil or Nuts

The New England journal of medicine, 2018-06, Vol.378 (25), p.e34-e34

2018

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Safety and efficacy of uric acid in patients with acute stroke (URICO-ICTUS): a randomised, double-blind phase 2b/3 trial

Lancet neurology, 2014-05, Vol.13 (5), p.453-460

2014

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Long-term secondary prevention of cardiovascular disease with a Mediterranean diet and a low-fat diet (CORDIOPREV): a randomised controlled trial

The Lancet (British edition), 2022-05, Vol.399 (10338), p.1876-1885

2022

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Hybrid density functional calculations of the defect properties of ZnO:Rh and ZnO:Ir

Thin solid films, 2014-03, Vol.555, p.112-116

2014

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Chemically aware unitary coupled cluster with ab initio calculations on an ion trap quantum computer: A refrigerant chemicals’ application

Trapping, self-trapping and the polaron family

Negative oxygen vacancies in HfO2 as charge traps in high-k stacks

Theoretical prediction of intrinsic self-trapping of electrons and holes in monoclinic HfO2

Effect of trivalent dopants on local coordination and electronic structure in crystalline and amorphous ZnO

Intrinsic and defect-assisted trapping of electrons and holes in HfO2 : an ab initio study

Electronic structure and spectroscopic properties of interstitial anions in the nanoporous complex oxide 12CaO·7Al2O3

Modelling of electron and hole trapping in oxides

Oxygen vacancies in cubic ZrO2 nanocrystals studied by an ab initio embedded cluster method

Structure and spectroscopic properties of oxygen divacancy in yttrium-stabilized zirconia

Theoretical Prediction of Intrinsic Self-Trapping of Electrons and Holes in Monoclinic HfO 2

Electronic structure and spectroscopic properties of interstitial anions in the nanoporous complex oxide 12CaO·7Al 2 O 3

Intrinsic and defect-assisted trapping of electrons and holes in HfO 2: an ab initio study

Models of triplet self-trapped excitons in SiO 2 , HfO 2 , and HfSiO 4

Negative oxygen vacancies in Hf O 2 as charge traps in high- k stacks

Ab initio study of charge trapping and dielectric properties of Ti-doped HfO 2

Oxygen vacancies in cubic ZrO 2 nanocrystals studied by an ab initio embedded cluster method

Spectroscopic properties of oxygen vacancies in monoclinic Hf O 2 calculated with periodic and embedded cluster density functional theory

Models of triplet self-trapped excitons in SiO sub(2), HfO sub(2), and HfSiO sub(4)

Electronic structure and spectroscopic properties of interstitial anions in the nanoporous complex oxide 12CaO7Al2O3

The effect of defects and disorder on the electronic properties of ZnIr2O4

Primary Prevention of Cardiovascular Disease with a Mediterranean Diet Supplemented with Extra-Virgin Olive Oil or Nuts

Safety and efficacy of uric acid in patients with acute stroke (URICO-ICTUS): a randomised, double-blind phase 2b/3 trial

Long-term secondary prevention of cardiovascular disease with a Mediterranean diet and a low-fat diet (CORDIOPREV): a randomised controlled trial

Hybrid density functional calculations of the defect properties of ZnO:Rh and ZnO:Ir

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