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Density functional studies of molecular magnets

Physica Status Solidi (b), 2006-09, Vol.243 (11), p.2533-2572

2006

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The {Fe III [Fe III (L 1 ) 2 ] 3 } star-type single-molecule magnet

Dalton transactions : an international journal of inorganic chemistry, 2006 (23), p.2865-2874

2006

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Supramolecular Self-Assembled Polynuclear Complexes from Tritopic, Tetratopic, and Pentatopic Ligands: Structural, Magnetic and Surface Studies

Inorganic chemistry, 2007-09, Vol.46 (19), p.7767-7781

2007

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Calculated vibration spectrum of monoclinic Cu2SnSe3 in comparison with kesterite-type Cu2ZnSnSe4

Physica status solidi. A, Applications and materials science, 2013-07, Vol.210 (7), p.1332-1335

2013

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STM/STS Observation of Polyoxoanions on HOPG Surfaces: the Wheel-Shaped [Cu20Cl(OH)24(H2O)12(P8W48O184)]25- and the Ball-Shaped [{Sn(CH3)2(H2O)}24{Sn(CH3)2}12(A-PW9O34)12]36

Inorganic chemistry, 2006-04, Vol.45 (7), p.2866-2872

2006

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Effects of Copper Substitution by Alkali Metals on the Properties of Chalcopyrites for Tandem Applications: Insights from Theory

Journal of physical chemistry. C, 2020-05, Vol.124 (19), p.10353-10366

2020

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Multi-phonon (percolation) behavior and local clustering of CdxZn1−xSe-cubic mixed crystals (x ≤ 0.3): A Raman–ab initio study

Journal of applied physics, 2019-09, Vol.126 (10)

2019

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Star-Shaped Molecule of MnII4O6 Core with an St = 10 High-Spin State. A Theoretical and Experimental Study with XPS, XMCD, and Other Magnetic Methods

Inorganic chemistry, 2008-06, Vol.47 (11), p.4605-4617

2008

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Calculated vibration spectrum of monoclinic Cu 2 SnSe 3 in comparison with kesterite-type Cu 2 ZnSnSe 4: Calculated phonons in Cu 2 SnSe 3 compared to Cu 2 ZnSnSe 4

Physica status solidi. A, Applications and materials science, 2013-07, Vol.210 (7), p.1332-1335

2013

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Calculated vibration spectrum of monoclinic Cu 2 SnSe 3 in comparison with kesterite-type Cu 2 ZnSnSe 4

Physica status solidi. A, Applications and materials science, 2013-07, Vol.210 (7), p.1332-1335

2013

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Calculated vibration spectrum of monoclinic Cu sub(2) Sn Se sub(3) in comparison with kesterite-type Cu sub(2) Zn Sn Se sub(4)

Physica status solidi. A, Applications and materials science, 2013-07, Vol.210 (7), p.1332-1335

2013

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Non-plasmonic hyperthermia: prerequisites for realization and materials

Journal of nanophotonics, 2012-10, Vol.6 (1), p.61709

2012

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A Star-Shaped Heteronuclear Cr III Mn II 3 Species and Its Precise Electronic and Magnetic Structure: Spin Frustration Studied by X-Ray Spectroscopic, Magnetic, and Theoretical Methods

Inorganic chemistry, 2010-03, Vol.49 (5), p.2093-2102

2010

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Star-Shaped Molecule of Mn II 4 O 6 Core with an S t = 10 High-Spin State. A Theoretical and Experimental Study with XPS, XMCD, and Other Magnetic Methods

Inorganic chemistry, 2008-06, Vol.47 (11), p.4605-4617

2008

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Density functional studies of molecular magnets : Towards atomistic materials design

Physica status solidi. B. Basic research, 2006, Vol.243 (11), p.2533-2572

2006

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Star-Shaped Molecule of Mn super(II) sub(4)O sub( 6) Core with an S sub(t) = 10 High-Spin State. A Theoretical and Experimental Study with XPS, XMCD, and Other Magnetic Methods

Inorganic chemistry, 2008-06, Vol.47 (11), p.4605-4617

2008

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The [Fe(III)[Fe(III)(L1)2]3] star-type single-molecule magnet

Dalton transactions : an international journal of inorganic chemistry, 2006-06 (23), p.2865-2874

2006

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A star-shaped heteronuclear Cr(III)Mn(II)3 species and its precise electronic and magnetic structure: spin frustration studied by X-ray spectroscopic, magnetic, and theoretical methods

Inorganic chemistry, 2010-03, Vol.49 (5), p.2093-2102

2010

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Mixing of widely separated intermediate states and charge transfer at the 4d-4f resonance of la compounds

Europhysics letters, 2000-03, Vol.49 (5)

2000

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A Star-Shaped Heteronuclear CrIIIMnII 3 Species and Its Precise Electronic and Magnetic Structure: Spin Frustration Studied by X-Ray Spectroscopic, Magnetic, and Theoretical Methods

Inorganic chemistry, 2010-03, Vol.49 (5), p.2093-2102

2010

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Star-Shaped Molecule of MnII 4O6 Core with an S t = 10 High-Spin State. A Theoretical and Experimental Study with XPS, XMCD, and Other Magnetic Methods

Inorganic chemistry, 2008-06, Vol.47 (11), p.4605-4617

2008

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Siesta: Recent developments and applications

The Journal of chemical physics, 2020-05, Vol.152 (20), p.204108-204108

2020

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A terahertz-vibration to terahertz-radiation converter based on gold nanoobjects: a feasibility study

Beilstein journal of nanotechnology, 2016, Vol.7 (28), p.983-989

2016

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Effects of silver ion exchange and subsequent treatments on the UV–VIS spectra of silicate glasses. I. Undoped, CeO2-doped, and (CeO2+Sb2O3)-codoped photo-thermo-refractive matrix glasses

Journal of non-crystalline solids, 2013-10, Vol.378, p.213-226

2013

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Density functional studies of molecular magnets

The {Fe III [Fe III (L 1 ) 2 ] 3 } star-type single-molecule magnet

Supramolecular Self-Assembled Polynuclear Complexes from Tritopic, Tetratopic, and Pentatopic Ligands: Structural, Magnetic and Surface Studies

Calculated vibration spectrum of monoclinic Cu2SnSe3 in comparison with kesterite-type Cu2ZnSnSe4

STM/STS Observation of Polyoxoanions on HOPG Surfaces: the Wheel-Shaped [Cu20Cl(OH)24(H2O)12(P8W48O184)]25- and the Ball-Shaped [{Sn(CH3)2(H2O)}24{Sn(CH3)2}12(A-PW9O34)12]36

Effects of Copper Substitution by Alkali Metals on the Properties of Chalcopyrites for Tandem Applications: Insights from Theory

Multi-phonon (percolation) behavior and local clustering of CdxZn1−xSe-cubic mixed crystals (x ≤ 0.3): A Raman–ab initio study

Star-Shaped Molecule of MnII4O6 Core with an St = 10 High-Spin State. A Theoretical and Experimental Study with XPS, XMCD, and Other Magnetic Methods

Calculated vibration spectrum of monoclinic Cu 2 SnSe 3 in comparison with kesterite-type Cu 2 ZnSnSe 4: Calculated phonons in Cu 2 SnSe 3 compared to Cu 2 ZnSnSe 4

Calculated vibration spectrum of monoclinic Cu 2 SnSe 3 in comparison with kesterite-type Cu 2 ZnSnSe 4

Calculated vibration spectrum of monoclinic Cu sub(2) Sn Se sub(3) in comparison with kesterite-type Cu sub(2) Zn Sn Se sub(4)

Non-plasmonic hyperthermia: prerequisites for realization and materials

A Star-Shaped Heteronuclear Cr III Mn II 3 Species and Its Precise Electronic and Magnetic Structure: Spin Frustration Studied by X-Ray Spectroscopic, Magnetic, and Theoretical Methods

Star-Shaped Molecule of Mn II 4 O 6 Core with an S t = 10 High-Spin State. A Theoretical and Experimental Study with XPS, XMCD, and Other Magnetic Methods

Density functional studies of molecular magnets : Towards atomistic materials design

Star-Shaped Molecule of Mn super(II) sub(4)O sub( 6) Core with an S sub(t) = 10 High-Spin State. A Theoretical and Experimental Study with XPS, XMCD, and Other Magnetic Methods

The [Fe(III)[Fe(III)(L1)2]3] star-type single-molecule magnet

A star-shaped heteronuclear Cr(III)Mn(II)3 species and its precise electronic and magnetic structure: spin frustration studied by X-ray spectroscopic, magnetic, and theoretical methods

Mixing of widely separated intermediate states and charge transfer at the 4d-4f resonance of la compounds

A Star-Shaped Heteronuclear CrIIIMnII 3 Species and Its Precise Electronic and Magnetic Structure: Spin Frustration Studied by X-Ray Spectroscopic, Magnetic, and Theoretical Methods

Star-Shaped Molecule of MnII 4O6 Core with an S t = 10 High-Spin State. A Theoretical and Experimental Study with XPS, XMCD, and Other Magnetic Methods

Siesta: Recent developments and applications

A terahertz-vibration to terahertz-radiation converter based on gold nanoobjects: a feasibility study

S iesta : Recent developments and applications

Effects of silver ion exchange and subsequent treatments on the UV–VIS spectra of silicate glasses. I. Undoped, CeO2-doped, and (CeO2+Sb2O3)-codoped photo-thermo-refractive matrix glasses

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