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Determining Local Magnetic Susceptibility Tensors in Paramagnetic Lanthanide Crystalline Powders from Solid-State NMR Chemical Shift Anisotropies

Journal of physical chemistry (1952), 2023-02, Vol.127 (6), p.1547-1554

2023

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On the Electronic Structure of Organometallic Palladium Clusters of Medium and Large Size: A Theoretical Study

Journal of cluster science, 2015-01, Vol.26 (1), p.41-51

2015

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Anion Encapsulation and Geometric Changes in Hepta- and Hexanuclear Copper(I) Dichalcogeno Clusters: A Theoretical and Experimental Investigation

Inorganic chemistry, 2013-11, Vol.52 (22), p.13253-13262

2013

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Structure and Spectroscopic Properties of Gold(I) Diselenophosph(in)ate Complexes: A Joint Experimental and Theoretical Study

Inorganic chemistry, 2012-11, Vol.51 (21), p.11851-11859

2012

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DFT Simulations as Valuable Tool to Support NMR Characterization of Halide Perovskites: the Case of Pure and Mixed Halide Perovskites

Helvetica chimica acta, 2021-05, Vol.104 (5), p.n/a

2021

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Bismuth and Lead Hanging-Carboxylate Porphyrins: An Unexpected Homobimetallic Lead(II) Complex

Angewandte Chemie International Edition, 2007-07, Vol.46 (27), p.5120-5124

2007

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Structure and Stability of VO2 + in Aqueous Solution: A Car−Parrinello and Static ab Initio Study

Inorganic chemistry, 2007-06, Vol.46 (12), p.4835-4843

2007

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Role of the van der Waals interactions and impact of the exchange-correlation functional in determining the structure of glassy GeTe4

Physical review. B, Condensed matter and materials physics, 2015-10, Vol.92 (13)

2015

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Study of the Ge20Te80-xSex glassy structures by combining solid state NMR, vibrational spectroscopies and DFT modelling

Journal of solid state chemistry, 2021-05, Vol.297, p.122062, Article 122062

2021

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Structure of Ga-Sb-Se glasses by combination of 77Se NMR and neutron diffraction experiments with molecular dynamics

Journal of non-crystalline solids, 2021-04, Vol.557, p.120574, Article 120574

2021

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Structure of Ga-Sb-Se glasses by combination of 77 Se NMR and neutron diffraction experiments with molecular dynamics

Journal of non-crystalline solids, 2021, Vol.557

2021

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Mechanochemical Synthesis and Study of the Local Structure of NaGaS 2 Glass and Glass–Ceramics

Inorganic chemistry, 2022-11, Vol.61 (46), p.18476-18485

2022

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First-principles study of the atomic structure of glassy Ga10Ge15Te75

Journal of non-crystalline solids, 2018-10, Vol.498, p.338-344

2018

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Ionic Conductivity and Structure of Glasses Synthesized by Mechanical-Milling Methods in the x[Na2S]–(100 – x) [0.5GeS2–0.5Ga2S3] System

Inorganic chemistry, 2023-11, Vol.62 (46), p.19033-19042

2023

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Mechanochemical Synthesis and Study of the Local Structure of NaGaS2 Glass and Glass–Ceramics

Inorganic chemistry, 2022-11, Vol.61 (46), p.18476-18485

2022

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Experimental and Theoretical Studies of Quadrupolar Oligothiophene-Cored Chromophores Containing Dimesitylboryl Moieties as π-Accepting End-Groups: Syntheses, Structures, Fluorescence, and One- and Two-Photon Absorption

Chemistry : a European journal, 2014-10, Vol.20 (42), p.13618-13635

2014

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On the Sensitivity of f Electrons to Their Chemical Environment

Journal of the American Chemical Society, 2008-02, Vol.130 (7), p.2180-2183

2008

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Density Functional Theory Calculations of 95Mo NMR Parameters in Solid-State Compounds

Chemphyschem, 2009-12, Vol.10 (18), p.3320-3329

2009

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Unusual Coexistence of Magnetic and Nonmagnetic Mo6 Octahedral Clusters in a Chalcohalide Solid Solution: Synthesis, X-ray Diffraction, EPR, and DFT Investigations of Cs3Mo6Ii6Ii2−xSeixIa6

Chemistry : a European journal, 2007-11, Vol.13 (34), p.9608-9616

2007

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Experimental and Theoretical Insights into the Structure of Tellurium Chloride Glasses

Inorganic chemistry, 2018-03, Vol.57 (5), p.2517-2528

2018

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Au-Au chemical bonding induced by UV irradiation of dinuclear gold(I) complexes: a computational study with experimental evidence

Physical chemistry chemical physics : PCCP, 2014-12, Vol.16 (47), p.25840-25845

2014

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Network connectivity and extended Se chains in the atomic structure of glassy GeSe4

Chemical physics letters, 2012-09, Vol.547, p.30-34

2012

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Structure of Arsenic Selenide Glasses Studied by NMR: Selenium Chain Length Distributions and the Flory Model

Journal of physical chemistry. C, 2015-05, Vol.119 (21), p.11852-11857

2015

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Analysis and Prediction of Stacking Sequences in Intercalated Lamellar Vanadium Phosphates

European journal of inorganic chemistry, 2015-04, Vol.2015 (11), p.1941-1945

2015

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Shape Modulation of Octanuclear Cu(I) or Ag(I) Dichalcogeno Template Clusters with Respect to the Nature of their Encapsulated Anions: A Combined Theoretical and Experimental Investigation

Inorganic chemistry, 2013-07, Vol.52 (13), p.7752-7765

2013

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Determining Local Magnetic Susceptibility Tensors in Paramagnetic Lanthanide Crystalline Powders from Solid-State NMR Chemical Shift Anisotropies

On the Electronic Structure of Organometallic Palladium Clusters of Medium and Large Size: A Theoretical Study

Anion Encapsulation and Geometric Changes in Hepta- and Hexanuclear Copper(I) Dichalcogeno Clusters: A Theoretical and Experimental Investigation

Structure and Spectroscopic Properties of Gold(I) Diselenophosph(in)ate Complexes: A Joint Experimental and Theoretical Study

DFT Simulations as Valuable Tool to Support NMR Characterization of Halide Perovskites: the Case of Pure and Mixed Halide Perovskites

Bismuth and Lead Hanging-Carboxylate Porphyrins: An Unexpected Homobimetallic Lead(II) Complex

Structure and Stability of VO2 + in Aqueous Solution: A Car−Parrinello and Static ab Initio Study

Role of the van der Waals interactions and impact of the exchange-correlation functional in determining the structure of glassy GeTe4

Study of the Ge20Te80-xSex glassy structures by combining solid state NMR, vibrational spectroscopies and DFT modelling

Structure of Ga-Sb-Se glasses by combination of 77Se NMR and neutron diffraction experiments with molecular dynamics

Structure of Ga-Sb-Se glasses by combination of 77 Se NMR and neutron diffraction experiments with molecular dynamics

Mechanochemical Synthesis and Study of the Local Structure of NaGaS 2 Glass and Glass–Ceramics

First-principles study of the atomic structure of glassy Ga10Ge15Te75

Ionic Conductivity and Structure of Glasses Synthesized by Mechanical-Milling Methods in the x[Na2S]–(100 – x) [0.5GeS2–0.5Ga2S3] System

Mechanochemical Synthesis and Study of the Local Structure of NaGaS2 Glass and Glass–Ceramics

Experimental and Theoretical Studies of Quadrupolar Oligothiophene-Cored Chromophores Containing Dimesitylboryl Moieties as π-Accepting End-Groups: Syntheses, Structures, Fluorescence, and One- and Two-Photon Absorption

On the Sensitivity of f Electrons to Their Chemical Environment

Density Functional Theory Calculations of 95Mo NMR Parameters in Solid-State Compounds

Unusual Coexistence of Magnetic and Nonmagnetic Mo6 Octahedral Clusters in a Chalcohalide Solid Solution: Synthesis, X-ray Diffraction, EPR, and DFT Investigations of Cs3Mo6Ii6Ii2−xSeixIa6

Experimental and Theoretical Insights into the Structure of Tellurium Chloride Glasses

Au-Au chemical bonding induced by UV irradiation of dinuclear gold(I) complexes: a computational study with experimental evidence

Network connectivity and extended Se chains in the atomic structure of glassy GeSe4

Structure of Arsenic Selenide Glasses Studied by NMR: Selenium Chain Length Distributions and the Flory Model

Analysis and Prediction of Stacking Sequences in Intercalated Lamellar Vanadium Phosphates

Shape Modulation of Octanuclear Cu(I) or Ag(I) Dichalcogeno Template Clusters with Respect to the Nature of their Encapsulated Anions: A Combined Theoretical and Experimental Investigation

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