Works matching IS 20525192 AND DT 2017 AND VI 73 AND IP 4
Results: 25
Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 715, doi. 10.1107/S2052520617003870
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Synthesis, structure and non-linear optical properties of new isostructural β- d-fructopyranose alkaline halide metal-organic frameworks: a theoretical and an experimental study.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 737, doi. 10.1107/S2052520617005285
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When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 544, doi. 10.1107/S2052520617008241
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A theoretical-electron-density databank using a model of real and virtual spherical atoms.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 610, doi. 10.1107/S2052520617008204
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Crystal structures of η′′-Cu<sub>3+ x</sub>Si and η′′′-Cu<sub>3+ x</sub>Si.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 767, doi. 10.1107/S2052520617006163
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Interplay of point multipole moments and charge penetration for intermolecular electrostatic interaction energies from the University at Buffalo pseudoatom databank model of electron density.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 598, doi. 10.1107/S2052520617005510
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Experimental charge-density studies: data reduction and model quality: the more the better?
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 531, doi. 10.1107/S2052520617007016
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Accurate charge densities from powder X-ray diffraction - a new version of the Aarhus vacuum imaging-plate diffractometer.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 521, doi. 10.1107/S2052520617006357
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Charge density studies of 3 d metal (Ni/Cu) complexes with a non-innocent ligand.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 634, doi. 10.1107/S2052520617007119
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Anharmonic motions versus dynamic disorder at the Mg ion from the charge densities in pyrope (Mg<sub>3</sub>Al<sub>2</sub>Si<sub>3</sub>O<sub>12</sub>) crystals at 30 K: six of one, half a dozen of the other.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 722, doi. 10.1107/S2052520617006102
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Preface.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 519, doi. 10.1107/S2052520617007570
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Introduction.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 520, doi. 10.1107/S2052520617010885
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Validation of missed space-group symmetry in X-ray powder diffraction structures with dispersion-corrected density functional theory.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 756, doi. 10.1107/S2052520617005935
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Local structure and stacking disorder of chloro(phthalocyaninato)aluminium.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 744, doi. 10.1107/S2052520617005017
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Multi-temperature study of potassium uridine-5′-monophosphate: electron density distribution and anharmonic motion modelling.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 550, doi. 10.1107/S2052520617005534
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Experimental observation of charge-shift bond in fluorite CaF<sub>2</sub>.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 643, doi. 10.1107/S2052520617008617
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Revisiting the charge density analysis of 2,5-dichloro-1,4-benzoquinone at 20 K.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 654, doi. 10.1107/S2052520617007363
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Insights on spin delocalization and spin polarization mechanisms in crystals of azido copper(II) dinuclear complexes through the electron spin density Source Function.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 565, doi. 10.1107/S2052520617008083
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Formation of local spin-state concentration waves during the relaxation from a photoinduced state in a spin-crossover polymer.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 660, doi. 10.1107/S2052520617007685
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Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 584, doi. 10.1107/S2052520617008356
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Nanoscale symmetry fluctuations in ferroelectric barium titanate, BaTiO<sub>3</sub>.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 708, doi. 10.1107/S2052520617008496
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Exploring the rare S-H...S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 626, doi. 10.1107/S2052520617008344
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Solvent exchange in a metal-organic framework single crystal monitored by dynamic in situ X-ray diffraction.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 669, doi. 10.1107/S2052520617008447
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The index of dispersion as a metric of quanta - unravelling the Fano factor.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 675, doi. 10.1107/S2052520617009222
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In-house time-resolved photocrystallography on the millisecond timescale using a gated X-ray hybrid pixel area detector.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 696, doi. 10.1107/S2052520617009234
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