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Time-Dependent Density Functional Tight Binding: New Formulation and Benchmark of Excited States

Journal of chemical theory and computation, 2011-10, Vol.7 (10), p.3304-3313

2011

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DFT Study on Anatase TiO2 Nanowires: Structure and Electronic Properties As Functions of Size, Surface Termination, and Morphology

Journal of physical chemistry. C, 2010-07, Vol.114 (29), p.12389-12400

2010

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Effects of electronic and lattice polarization on the band structure of delafossite transparent conductive oxides

Physical review letters, 2010-04, Vol.104 (13), p.136401-136401, Article 136401

2010

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Silicon Nanocrystal Functionalization: Analytic Fitting of DFTB Parameters

Journal of chemical theory and computation, 2011-03, Vol.7 (3), p.713-719

2011

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Design and Validation of a Two-Tier Questionnaire on Basic Aspects in Quantum Mechanics

Physical review. Physics education research, 2019-06, Vol.15 (1), p.010137, Article 010137

2019

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Effects of Instruction on Students' Overconfidence in Introductory Quantum Mechanics

Physical review. Physics education research, 2020-06, Vol.16 (1), p.010143, Article 010143

2020

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Development of a Construct Map to Describe Students' Reasoning about Introductory Quantum Mechanics

Physical review. Physics education research, 2020-06, Vol.16 (1), p.010144, Article 010144

2020

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Real‐space grid representation of momentum and kinetic energy operators for electronic structure calculations

Journal of computational chemistry, 2018-07, Vol.39 (20), p.1406-1412

2018

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Band structures of delafossite transparent conductive oxides from a self-consistent GW approach

Physical review. B, Condensed matter and materials physics, 2010-08, Vol.82

2010

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Development and validation of a university students’ progression in learning quantum mechanics through exploratory factor analysis and Rasch analysis

International journal of science education, 2019-02, Vol.41 (3), p.388-417

2019

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Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case

Theoretical chemistry accounts, 2012-04, Vol.131 (4), Article 1201

2012

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Low-lying electronic excitations of a water-soluble BODIPY: from the gas phase to the solvated molecule

Theoretical chemistry accounts, 2016-12, Vol.135 (12), p.1-16, Article 264

2016

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DFT Study on Anatase TiO 2 Nanowires: Structure and Electronic Properties As Functions of Size, Surface Termination, and Morphology

Journal of physical chemistry. C, 2010-07, Vol.114 (29), p.12389-12400

2010

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Effects of polarization on the band-structure of delafossite transparent conductive oxides

Physical review letters, 2010-03, Vol.104

2010

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The crystal structure of p-type transparent conductive oxide CuBO 2

MRS communications, 2013-09, Vol.3 (3), p.157-160

2013

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Understanding Doping In Silicon Nanostructures

IEEE journal of selected topics in quantum electronics, 2006-11, Vol.12 (6), p.1585-1591

2006

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The crystal structure of p-type transparent conductive oxide CuBO2

MRS communications, 2013-09, Vol.3 (3), p.157-160

2013

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The Role of the Surface Coverage on the Structural and the Electronic Properties of TiO2 Nanocrystals

MRS proceedings, 2009, Vol.1178 (1), p.114-119

2009

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The Role of the Surface Coverage on the Structural and the Electronic Properties of TiO 2 Nanocrystals

MRS proceedings, 2009, Vol.1178, Article 1178-AA09-34

2009

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The Role of Local Fields in the Optical Properties of Silicon Nanocrystals

MRS proceedings, 2006, Vol.958, Article 0958-L08-09

2006

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Application of Computational Spectroscopy to Silicon Nanocrystals: Tight‐Binding Approach

Computational Strategies for Spectroscopy, 2011, p.249-260

2011

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Erratum: Band structures of delafossite transparent conductive oxides from a self-consistent GW approach [Phys. Rev. B 82 , 085115 (2010)]

Physical review. B, Condensed matter and materials physics, 2011-01, Vol.83 (3), Article 039901

2011

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Band structures of delafossite transparent conductive oxides from a self-consistent G W approach

Physical review. B, Condensed matter and materials physics, 2010-08, Vol.82 (8), Article 085115

2010

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Alexithymic Traits and Somatic Symptoms in Children and Adolescents: a Screening Approach to Explore the Mediation Role of Depression

Psychiatric quarterly, 2020-06, Vol.91 (2), p.521-532

2020

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Time-Dependent Density Functional Tight Binding: New Formulation and Benchmark of Excited States

DFT Study on Anatase TiO2 Nanowires: Structure and Electronic Properties As Functions of Size, Surface Termination, and Morphology

Effects of electronic and lattice polarization on the band structure of delafossite transparent conductive oxides

Silicon Nanocrystal Functionalization: Analytic Fitting of DFTB Parameters

Design and Validation of a Two-Tier Questionnaire on Basic Aspects in Quantum Mechanics

Effects of Instruction on Students' Overconfidence in Introductory Quantum Mechanics

Development of a Construct Map to Describe Students' Reasoning about Introductory Quantum Mechanics

Real‐space grid representation of momentum and kinetic energy operators for electronic structure calculations

Band structures of delafossite transparent conductive oxides from a self-consistent GW approach

Development and validation of a university students’ progression in learning quantum mechanics through exploratory factor analysis and Rasch analysis

Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case

Low-lying electronic excitations of a water-soluble BODIPY: from the gas phase to the solvated molecule

DFT Study on Anatase TiO 2 Nanowires: Structure and Electronic Properties As Functions of Size, Surface Termination, and Morphology

Effects of polarization on the band-structure of delafossite transparent conductive oxides

The crystal structure of p-type transparent conductive oxide CuBO 2

Understanding Doping In Silicon Nanostructures

The crystal structure of p-type transparent conductive oxide CuBO2

The Role of the Surface Coverage on the Structural and the Electronic Properties of TiO2 Nanocrystals

The Role of the Surface Coverage on the Structural and the Electronic Properties of TiO 2 Nanocrystals

The Role of Local Fields in the Optical Properties of Silicon Nanocrystals

Application of Computational Spectroscopy to Silicon Nanocrystals: Tight‐Binding Approach

Erratum: Band structures of delafossite transparent conductive oxides from a self-consistent GW approach [Phys. Rev. B 82 , 085115 (2010)]

Band structures of delafossite transparent conductive oxides from a self-consistent G W approach

Ponatinib alone or with chemo-immunotherapy in heavily pre-treated Philadelphia-like acute lymphoblastic leukemia: a CAMPUS ALL real-life study

Alexithymic Traits and Somatic Symptoms in Children and Adolescents: a Screening Approach to Explore the Mediation Role of Depression

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