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Structure and properties of cerium oxides in bulk and nanoparticulate forms

Journal of alloys and compounds, 2014-01, Vol.584, p.199-208

2014

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Quantum Chemical Study of the Initial Step of Ozone Addition to the Double Bond of Ethylene

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-10, Vol.116 (42), p.10420-10434

2012

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Wide gap Chern Mott insulating phases achieved by design

npj quantum materials, 2017-01, Vol.2 (1), p.1-8, Article 4

2017

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Mechanism of Nitric Oxide Oxidation Reaction (2NO + O2 → 2NO2) Revisited

Journal of chemical theory and computation, 2011-07, Vol.7 (7), p.2021-2024

2011

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Interplay between spin-orbit coupling and strong correlation effects: Comparison of the three osmate double perovskites Ba2AOsO6(A=Na, Ca, Y)

Physical review. B, 2016-04, Vol.93 (15)

2016

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Reaching the magnetic anisotropy limit of a 3d metal atom

Science (American Association for the Advancement of Science), 2014-05, Vol.344 (6187), p.988-992

2014

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Predictions of the Spin Configuration in Mn12 Molecular Magnets Made Accurate with the Help of Hubbard U on the Ligand Atoms

Journal of physical chemistry. C, 2014-09, Vol.118 (35), p.20605-20612

2014

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Heisenberg coupling constant predicted for molecular magnets with pairwise spin-contamination correction

Journal of magnetism and magnetic materials, 2015-12, Vol.396 (C), p.222-227

2015

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Magnetic Exchange in Mn II [TCNE] (TCNE = Tetracyanoethylene) Molecule-Based Magnets with Two- and Three-Dimensional Magnetic Networks

Journal of physical chemistry. C, 2015-11, Vol.119 (44), p.25036-25046

2015

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Interplay between spin-orbit coupling and strong correlation effects: Comparison of the three osmate double perovskites Ba sub(2)A OsO sub(6)(A=Na, Ca, Y)

Physical review. B, 2016-04, Vol.93 (15)

2016

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High Seebeck Coefficient and Unusually Low Thermal Conductivity Near Ambient Temperatures in Layered Compound Yb 2– x Eu x CdSb 2

Chemistry of materials, 2018-01, Vol.30 (2), p.484-493

2018

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High Seebeck Coefficient and Unusually Low Thermal Conductivity Near Ambient Temperatures in Layered Compound Yb2–x Eu x CdSb2

Chemistry of materials, 2018-01, Vol.30 (2), p.484-493

2018

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High Seebeck Coefficient and Unusually Low Thermal Conductivity Near Ambient Temperatures in Layered Compound Yb 2– x Eu x CdSb 2

Chemistry of materials, 2017-12, Vol.30 (2)

2017

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Predictions of the Spin Configuration in Mn 12 Molecular Magnets Made Accurate with the Help of Hubbard U on the Ligand Atoms

Journal of physical chemistry. C, 2014-09, Vol.118 (35), p.20605-20612

2014

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Structure and properties of cerium oxides in bulk and nanoparticulate forms

Journal of alloys and compounds, 2014, Vol.584, p.199-208

2014

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Variability sources and reliability of 3D - FeFETs

2021 IEEE International Reliability Physics Symposium (IRPS), 2021, p.1-7

2021

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Understanding oxygen vacancy migration and clustering in barium strontiumcobalt iron oxide

Solid state ionics, 2010-08, Vol.181 (23-24), p.1067-1073

2010

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Weak antiferromagnetic coupling in molecular ring is predicted correctly by density functional theory plus Hubbard U

The Journal of chemical physics, 2010-06, Vol.132 (24), p.244104-244104-7

2010

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Reaching the magnetic anisotropy limit of a 3 d metal atom

Science (American Association for the Advancement of Science), 2014-05, Vol.344 (6187), p.988-992

2014

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Spin-orbit coupling, strong correlation, and insulator-metal transitions: The J eff=32 ferromagnetic Dirac-Mott insulator Ba2NaOsO6

Physical review. B, Condensed matter and materials physics, 2015-01, Vol.91 (4)

2015

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Spin-orbit coupling, strong correlation, and insulator-metal transitions: The J sub(eff) = 3/2 ferromagnetic Dirac-Mott insulator Ba sub(2)NaOsO sub(6)

Physical review. B, Condensed matter and materials physics, 2015-01, Vol.91 (4)

2015

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Spin-orbit coupling, strong correlation, and insulator-metal transitions: The J eff = 3 2 ferromagnetic Dirac-Mott insulator Ba 2 NaOsO 6

Physical review. B, Condensed matter and materials physics, 2015-01, Vol.91 (4), Article 045133

2015

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Magnetic Exchange in MnII[TCNE] (TCNE = Tetracyanoethylene) Molecule-Based Magnets with Two- and Three-Dimensional Magnetic Networks

Journal of physical chemistry. C, 2015-11, Vol.119 (44), p.25036-25046

2015

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Prediction of Exchange Coupling Constant for Mn12 Molecular Magnet Using Dft+U

Computational Science – ICCS 2009, p.151-159

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Structure and properties of cerium oxides in bulk and nanoparticulate forms

Quantum Chemical Study of the Initial Step of Ozone Addition to the Double Bond of Ethylene

Wide gap Chern Mott insulating phases achieved by design

Mechanism of Nitric Oxide Oxidation Reaction (2NO + O2 → 2NO2) Revisited

Interplay between spin-orbit coupling and strong correlation effects: Comparison of the three osmate double perovskites Ba2AOsO6(A=Na, Ca, Y)

Reaching the magnetic anisotropy limit of a 3d metal atom

Predictions of the Spin Configuration in Mn12 Molecular Magnets Made Accurate with the Help of Hubbard U on the Ligand Atoms

Heisenberg coupling constant predicted for molecular magnets with pairwise spin-contamination correction

Magnetic Exchange in Mn II [TCNE] (TCNE = Tetracyanoethylene) Molecule-Based Magnets with Two- and Three-Dimensional Magnetic Networks

Interplay between spin-orbit coupling and strong correlation effects: Comparison of the three osmate double perovskites Ba sub(2)A OsO sub(6)(A=Na, Ca, Y)

High Seebeck Coefficient and Unusually Low Thermal Conductivity Near Ambient Temperatures in Layered Compound Yb 2– x Eu x CdSb 2

High Seebeck Coefficient and Unusually Low Thermal Conductivity Near Ambient Temperatures in Layered Compound Yb2–x Eu x CdSb2

High Seebeck Coefficient and Unusually Low Thermal Conductivity Near Ambient Temperatures in Layered Compound Yb 2– x Eu x CdSb 2

Predictions of the Spin Configuration in Mn 12 Molecular Magnets Made Accurate with the Help of Hubbard U on the Ligand Atoms

Structure and properties of cerium oxides in bulk and nanoparticulate forms

Variability sources and reliability of 3D - FeFETs

Understanding oxygen vacancy migration and clustering in barium strontiumcobalt iron oxide

Weak antiferromagnetic coupling in molecular ring is predicted correctly by density functional theory plus Hubbard U

Reaching the magnetic anisotropy limit of a 3 d metal atom

Spin-orbit coupling, strong correlation, and insulator-metal transitions: The J eff=32 ferromagnetic Dirac-Mott insulator Ba2NaOsO6

Spin-orbit coupling, strong correlation, and insulator-metal transitions: The J sub(eff) = 3/2 ferromagnetic Dirac-Mott insulator Ba sub(2)NaOsO sub(6)

Spin-orbit coupling, strong correlation, and insulator-metal transitions: The J eff = 3 2 ferromagnetic Dirac-Mott insulator Ba 2 NaOsO 6

Magnetic Exchange in MnII[TCNE] (TCNE = Tetracyanoethylene) Molecule-Based Magnets with Two- and Three-Dimensional Magnetic Networks

Prediction of Exchange Coupling Constant for Mn12 Molecular Magnet Using Dft+U

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