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Noncovalent Interactions in Crystalline Picolinic Acid N‑Oxide: Insights from Experimental and Theoretical Charge Density Analysis

Crystal growth & design, 2013-02, Vol.13 (2), p.816-828

2013

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Optimization and evaluation of data quality for charge density studies

Journal of applied crystallography, 2008-04, Vol.41 (2), p.340-349

2008

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Charge Density Analysis of an Organic Ferroelectric. Croconic Acid: an Experimental and Theoretical Study

Zeitschrift für anorganische und allgemeine Chemie (1950), 2013-09, Vol.639 (11), p.1969-1978

2013

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Charge densities in actinide compounds: strategies for data reduction and model building

IUCrJ, 2019-09, Vol.6 (5), p.895-908

2019

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Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX

Acta crystallographica. Section A, Foundations of crystallography, 2011-03, Vol.67 (2), p.160-173

2011

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Quantifying the Inter- and Intramolecular Interactions in Crystalline Phthalic Acid

Crystal growth & design, 2014-11, Vol.14 (11), p.5685-5691

2014

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Inter- and Intramolecular Interactions in Crystalline 2‑Nitrobenzoic AcidAn Experimental and Theoretical QTAIM Analysis

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-12, Vol.119 (52), p.13092-13100

2015

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Bonding in Uranium(V) Hexafluoride Based on the Experimental Electron Density Distribution Measured at 20 K

Inorganic chemistry, 2017-02, Vol.56 (4), p.1775-1778

2017

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Charge Density and Electrostatic Potential Study of 16α,17β-Estriol and the Binding of Estrogen Molecules to the Estrogen Receptors ERα and ERβ

The journal of physical chemistry. B, 2016-09, Vol.120 (34), p.8882-8891

2016

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Charge Density Analysis of 2,6-Dinitrophenol

Crystal growth & design, 2015-02, Vol.15 (2), p.875-883

2015

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Structure and Bonding in β-HMX-Characterization of a Trans-Annular N···N Interaction

Journal of the American Chemical Society, 2007-11, Vol.129 (45), p.13887-13893

2007

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Experimental Charge-Density Study of the Intra- and Intermolecular Bonding in TKX-50

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-11, Vol.121 (46), p.8962-8972

2017

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Inter- and Intramolecular Bonding in 1,3,5-Triamino-2,4,6-trinitrobenzene: An Experimental and Theoretical Quantum Theory of Atoms in Molecules (QTAIM) Analysis

Crystal growth & design, 2017-10, Vol.17 (10), p.5200-5207

2017

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λ/2 contamination in X‐ray diffraction data – the impact of heavy atoms

Journal of applied crystallography, 2017-04, Vol.50 (2), p.643-646

2017

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QTAIM Assessment of the Intra- and Intermolecular Bonding in a Bis(nitramido–oxadiazolate) Energetic Ionic Salt at 20 K

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-12, Vol.122 (50), p.9676-9687

2018

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Chemical Bonding in Cesium Uranyl Chloride Based on the Experimental Electron Density Distribution

Inorganic chemistry, 2011-07, Vol.50 (13), p.6330-6333

2011

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Experimental and Theoretical Electron Density Determination for Two Norbornene Derivatives: Topological Analysis Provides Insights on Reactivity

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-06, Vol.120 (23), p.4059-4070

2016

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Atoms-in-Molecules Study of Intra- and Intermolecular Bonding in the Pentaerythritol Tetranitrate Crystal

Journal of the American Chemical Society, 2006-11, Vol.128 (45), p.14728-14734

2006

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Charge Transfer Vibronic Transitions in Uranyl Tetrachloride Compounds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-01, Vol.116 (2), p.855-864

2012

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Binding of Genistein to the Estrogen Receptor Based on an Experimental Electron Density Study

Journal of the American Chemical Society, 2007-12, Vol.129 (48), p.15013-15021

2007

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Direct air capture of CO- 2 - topological analysis of the experimental electron density (QTAIM) of the highly insoluble carbonate salt of a 2,6-pyridine-bis(iminoguanidine), (PyBIGH 2 )(CO 3 )(H 2 O) 4

IUCrJ, 2019-01, Vol.6 (Pt 1), p.56-65

2019

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Experimental and Theoretical Electron Density Study of Estrone

Journal of the American Chemical Society, 2006-07, Vol.128 (27), p.8849-8861

2006

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Revisiting the charge density analysis of 2,5‐dichloro‐1,4‐benzoquinone at 20 K

Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017-08, Vol.73 (4), p.654-659

2017

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17α-Estradiol·1/2 H2O: Super-Structural Ordering, Electronic Properties, Chemical Bonding, and Biological Activity in Comparison with Other Estrogens

Journal of the American Chemical Society, 2009-12, Vol.131 (47), p.17260-17269

2009

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Direct air capture of CO2– topological analysis of the experimental electron density (QTAIM) of the highly insoluble carbonate salt of a 2,6-pyridine-bis(iminoguanidine), (PyBIGH2)(CO3)(H2O)4

IUCrJ, 2019-01, Vol.6 (1), p.56-65

2019

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Noncovalent Interactions in Crystalline Picolinic Acid N‑Oxide: Insights from Experimental and Theoretical Charge Density Analysis

Optimization and evaluation of data quality for charge density studies

Charge Density Analysis of an Organic Ferroelectric. Croconic Acid: an Experimental and Theoretical Study

Charge densities in actinide compounds: strategies for data reduction and model building

Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX

Quantifying the Inter- and Intramolecular Interactions in Crystalline Phthalic Acid

Inter- and Intramolecular Interactions in Crystalline 2‑Nitrobenzoic AcidAn Experimental and Theoretical QTAIM Analysis

Bonding in Uranium(V) Hexafluoride Based on the Experimental Electron Density Distribution Measured at 20 K

Charge Density and Electrostatic Potential Study of 16α,17β-Estriol and the Binding of Estrogen Molecules to the Estrogen Receptors ERα and ERβ

Charge Density Analysis of 2,6-Dinitrophenol

Structure and Bonding in β-HMX-Characterization of a Trans-Annular N···N Interaction

Experimental Charge-Density Study of the Intra- and Intermolecular Bonding in TKX-50

Inter- and Intramolecular Bonding in 1,3,5-Triamino-2,4,6-trinitrobenzene: An Experimental and Theoretical Quantum Theory of Atoms in Molecules (QTAIM) Analysis

λ/2 contamination in X‐ray diffraction data – the impact of heavy atoms

QTAIM Assessment of the Intra- and Intermolecular Bonding in a Bis(nitramido–oxadiazolate) Energetic Ionic Salt at 20 K

Chemical Bonding in Cesium Uranyl Chloride Based on the Experimental Electron Density Distribution

Experimental and Theoretical Electron Density Determination for Two Norbornene Derivatives: Topological Analysis Provides Insights on Reactivity

Atoms-in-Molecules Study of Intra- and Intermolecular Bonding in the Pentaerythritol Tetranitrate Crystal

Charge Transfer Vibronic Transitions in Uranyl Tetrachloride Compounds

Binding of Genistein to the Estrogen Receptor Based on an Experimental Electron Density Study

Direct air capture of CO- 2 - topological analysis of the experimental electron density (QTAIM) of the highly insoluble carbonate salt of a 2,6-pyridine-bis(iminoguanidine), (PyBIGH 2 )(CO 3 )(H 2 O) 4

Experimental and Theoretical Electron Density Study of Estrone

Revisiting the charge density analysis of 2,5‐dichloro‐1,4‐benzoquinone at 20 K

17α-Estradiol·1/2 H2O: Super-Structural Ordering, Electronic Properties, Chemical Bonding, and Biological Activity in Comparison with Other Estrogens

Direct air capture of CO2– topological analysis of the experimental electron density (QTAIM) of the highly insoluble carbonate salt of a 2,6-pyridine-bis(iminoguanidine), (PyBIGH2)(CO3)(H2O)4

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