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Hirshfeld atom refinement

IUCrJ, 2014-09, Vol.1 (Pt 5), p.361-379

2014

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On the crystal-chemistry of inderite, Mg[B3O3(OH)5](H2O)4·H2O

Physics and chemistry of minerals, 2024-06, Vol.51 (2), p.21, Article 21

2024

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Unravelling strong temperature-dependence of JHD in transition metal hydrides: solvation and non-covalent interactions versus temperature-elastic H–H bonds

Chemical science (Cambridge), 2023-10, Vol.14 (43), p.12308-12320

2023

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Highly selective and recyclable MoO3 nanoparticles in epoxidation catalysis

Applied catalysis. A, General, 2015-09, Vol.504 (C), p.344-350

2015

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On the crystal-chemistry of meyerhofferite, CaB3O3(OH)5·H2O

Physics and chemistry of minerals, 2022-07, Vol.49 (7), Article 22

2022

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Thermal neutron cross sections of amino acids from average contributions of functional groups

Journal of physics. Condensed matter, 2021-05, Vol.33 (28), p.285901

2021

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“Glass-like” thermal conductivity gradually induced in thermoelectric Sr8Ga16Ge30 clathrate by off-centered guest atoms

Journal of applied physics, 2016-05, Vol.119 (18)

2016

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Step-by-Step Introduction of Silazane Moieties at Ruthenium: Different Extents of Ru–H–Si Bond Activation

Inorganic chemistry, 2013-03, Vol.52 (5), p.2654-2661

2013

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The spontaneous self-assembly of a molecular water pipe in 3D space

IUCrJ, 2022-05, Vol.9 (Pt 3), p.364-369

2022

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Nature of Si–H Interactions in a Series of Ruthenium Silazane Complexes Using Multinuclear Solid-State NMR and Neutron Diffraction

Inorganic chemistry, 2014-01, Vol.53 (2), p.1156-1165

2014

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X-ray diffraction data as a source of the vibrational free-energy contribution in polymorphic systems

IUCrJ, 2019-07, Vol.6 (Pt 4), p.558-571

2019

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High-pressure neutron diffraction study of Pd3Fe

Journal of applied physics, 2019-01, Vol.125 (1)

2019

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Probing Highly Selective H/D Exchange Processes with a Ruthenium Complex through Neutron Diffraction and Multinuclear NMR Studies

Inorganic chemistry, 2013-07, Vol.52 (13), p.7329-7337

2013

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An effective neutron cross section for hydrogen in organic compounds

Acta crystallographica. Section A, Foundations and advances, 2019-08, Vol.75 (a2), p.e732-e732

Capelli, Silvia

2019

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Molecular Motion in Crystalline Naphthalene: Analysis of Multi-Temperature X-Ray and Neutron Diffraction Data

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-10, Vol.110 (41), p.11695-11703

2006

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Structures and Dynamics of the Mixed Dihydrogen/Hydride Complexes [Ru(PCP)(H)(H2)n] (n = 1, 2) and [Ru(PNP)(H)2(H2)]

European journal of inorganic chemistry, 2013-10, Vol.2013 (29), p.5075-5080

2013

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Neutron and XRD Single-Crystal Diffraction Study and Vibrational Properties of Whitlockite, the Natural Counterpart of Synthetic Tricalcium Phosphate

Crystals (Basel), 2021-03, Vol.11 (3), p.225

2021

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Autosomal dominant hypocalcemia due to a truncation in the C-tail of the calcium-sensing receptor

Molecular and cellular endocrinology, 2017-01, Vol.439, p.187-193

2017

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Proton Cascade in a Molecular Solid: H/D Exchange on Mobile and Immobile Water

Angewandte Chemie International Edition, 2013-12, Vol.52 (50), p.13463-13467

International ed. in English, 2013

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An effective hydrogen scattering cross section for time‐of‐flight neutron experiments with simple organic molecules

Journal of applied crystallography, 2019-10, Vol.52 (5), p.1233-1237

2019

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Correction to “Dynamics and Thermodynamics of Crystalline Polymorphs: α‑Glycine, Analysis of Variable-Temperature Atomic Displacement Parameters”

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-10, Vol.116 (40), p.10037-10037

2012

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High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines

CrystEngComm, 2016-01, Vol.18 (30), p.5697-5709

2016

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Metallic Conductivity Down to 2 K in a Polyoxometalate-Containing Radical Salt of BEDO-TTF

Angewandte Chemie International Edition, 2004-06, Vol.43 (23), p.3022-3025

2004

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Cover Picture: Proton Cascade in a Molecular Solid: H/D Exchange on Mobile and Immobile Water (Angew. Chem. Int. Ed. 50/2013)

Angewandte Chemie International Edition, 2013-12, Vol.52 (50), p.13107-13107

International ed. in English, 2013

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Is H/D isotopic replacement always neutral to crystal structures?

Acta crystallographica. Section A, Foundations and advances, 2023-08, Vol.79 (a2), p.C186-C186

2023

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Hirshfeld atom refinement

On the crystal-chemistry of inderite, Mg[B3O3(OH)5](H2O)4·H2O

Unravelling strong temperature-dependence of JHD in transition metal hydrides: solvation and non-covalent interactions versus temperature-elastic H–H bonds

Highly selective and recyclable MoO3 nanoparticles in epoxidation catalysis

On the crystal-chemistry of meyerhofferite, CaB3O3(OH)5·H2O

Thermal neutron cross sections of amino acids from average contributions of functional groups

“Glass-like” thermal conductivity gradually induced in thermoelectric Sr8Ga16Ge30 clathrate by off-centered guest atoms

Step-by-Step Introduction of Silazane Moieties at Ruthenium: Different Extents of Ru–H–Si Bond Activation

The spontaneous self-assembly of a molecular water pipe in 3D space

Nature of Si–H Interactions in a Series of Ruthenium Silazane Complexes Using Multinuclear Solid-State NMR and Neutron Diffraction

X-ray diffraction data as a source of the vibrational free-energy contribution in polymorphic systems

High-pressure neutron diffraction study of Pd3Fe

Probing Highly Selective H/D Exchange Processes with a Ruthenium Complex through Neutron Diffraction and Multinuclear NMR Studies

An effective neutron cross section for hydrogen in organic compounds

Molecular Motion in Crystalline Naphthalene: Analysis of Multi-Temperature X-Ray and Neutron Diffraction Data

Structures and Dynamics of the Mixed Dihydrogen/Hydride Complexes [Ru(PCP)(H)(H2)n] (n = 1, 2) and [Ru(PNP)(H)2(H2)]

Neutron and XRD Single-Crystal Diffraction Study and Vibrational Properties of Whitlockite, the Natural Counterpart of Synthetic Tricalcium Phosphate

Autosomal dominant hypocalcemia due to a truncation in the C-tail of the calcium-sensing receptor

Proton Cascade in a Molecular Solid: H/D Exchange on Mobile and Immobile Water

An effective hydrogen scattering cross section for time‐of‐flight neutron experiments with simple organic molecules

Correction to “Dynamics and Thermodynamics of Crystalline Polymorphs: α‑Glycine, Analysis of Variable-Temperature Atomic Displacement Parameters”

High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines

Metallic Conductivity Down to 2 K in a Polyoxometalate-Containing Radical Salt of BEDO-TTF

Cover Picture: Proton Cascade in a Molecular Solid: H/D Exchange on Mobile and Immobile Water (Angew. Chem. Int. Ed. 50/2013)

Is H/D isotopic replacement always neutral to crystal structures?

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