Acta Crystallographica Section B-Structural Science Crystal Engineerin

Papers
(The TQCC of Acta Crystallographica Section B-Structural Science Crystal Engineerin is 3. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-03-01 to 2025-03-01.)
ArticleCitations
Can the results of quantum refinement be improved with a continuum-solvation model?28
Site-occupancy scheme in disordered Ca3RE2(BO3)4: a dependence on rare-earth (RE) ionic radius18
Thermal expansion and phase transformation in the rare earth di-titanate (R2Ti2O7) system16
Crystal structure, hydrogen bonds and thermal transformations of superprotonic conductor Cs6(SO4)3(H3PO4)415
Lattice defects in quinacridone15
One-dimensional diffuse scattering of 1,3-di(tert-butyl)cyclopentadienyl pentaphosphaferrocene modelled with closed-form expressions15
Mesocrystalline structure and mechanical properties of biogenic calcite from sea urchin spine13
Comparison of the temperature- and pressure-dependent behavior of the crystal structure of CrAs12
Accurate H-atom parameters for the two polymorphs of L-histidine at 5, 105 and 295 K11
Meta-generalized gradient approximation time-dependent density functional theory study of electron trapping in Hf- and Zr-doped lutetium oxide: influencing the oxygen vacancy11
Structural and magnetic properties of Y3(GaAlFe)5O12 liquid-phase epitaxy films with low ferromagnetic resonance losses11
Crystal structure or chemical composition of salt–sugar-based metal–organic frameworks: what are the nonlinear optical properties due to?11
Remarks on X-ray constrained/restrained wavefunction fitting11
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb n Bi4Te4S 10
Three-dimensional electron diffraction on clinkers: the belite α′ H incommensurate modulated structure10
Pressure-induced structural phase transitions in bismuth tungstate Bi2WO610
Analysis of magnetic structures in JANA202010
Proton tautomerism in 5-dimethylaminomethylidene-4-(o-,m-,p-hydroxyphenyl)amino-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies9
Refinement of the crystal structure of fresnoite, Ba2TiSi2O8, from Löhley (Eifel district, Germany); Gladstone–Dale compatibility, electronic polarizability and vibrat9
Crystal structure and enantiomeric layer disorder of a copper(I) nitrate π-coordination compound9
Predicting co-crystal structures of N-halide phthalimides with 3,5-dimethylpyridine8
Structural reasons for the formation of multicomponent products and the influence of high pressure8
2/1 and 1/1 cubic approximants in the ternary R-Cd-Mg (R = Y, Er) systems8
Solid-state multinuclear magnetic resonance and X-ray crystallographic investigation of the phosphorus...iodine halogen bond in a bis(dicyclohexylphenylphosphine)(1,6-diiodoperfluorohexane) cocrystal8
Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis7
New Section Editor of Acta Crystallographica, Section B7
The study of mineral behavior at low and high temperatures and their properties using a combination of different methods has not become routine yet7
Low-temperature phase transition and high-pressure phase stability of 1H-pyrazole-1-carboxamidine nitrate7
The hydrogen-bond network in sodium chloride tridecahydrate: analogy with ice VI7
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes. Corrigendum7
Hydrogen bonding patterns and C—H...π interactions in the structure of the antiparkinsonian drug (R)-rasagiline mesylate determined using laboratory and synchrotron X-ray powder diffraction dat7
Effect of La doping on the structure and cycloidal spin ordering in multiferroic BiFeO37
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients6
Solid-state electronegativity of atoms: new approaches6
Electronic structure of (MePh3P)2[NiII(bdtCl2)2]·2(CH3)2SO and (MePh3P)[NiIII(bdtCl2)6
Zharchikhite, AlF(OH)2: a novel structure type related to α-PbO26
A modulated structure derived from the XA-type Mn2RuSn Heusler compound6
Quantifying weak interactions in ferroelectric and paraelectric phases of phenazine and chloroanilic acid co-crystal using experimental and theoretical electron densities6
A new home for studies of crystal growth and characterisation6
Detailed analysis of deformation potentials with application in orbital-free density functional theory6
Structural properties of defective (CH3NH3)2Cu(Cl1–x Br x )4 co5
Selective acceleration and inhibition of crystal growth of glass carbamazepine by low-concentration poly(ethylene oxide):effects of drug polymorph5
Modulation of the modulated magnetic structure of an Ho i-MAX phase described by a magnetic (3+2)-dimensional superspace group5
Evolution of microstructure and crystallographic texture throughout the rolling process of AA31045
Structural and theoretical studies of amantadinium fenamates5
(Na,Li)3(Cl,OH)[Cu3OAl(PO4)3]: a first salt-inclusion aluminophosphate oxocuprate with a new type of crystal structure5
The bond valence model as a prospective approach: examination of the crystal structures of copper chalcogenides with Cu bond valence excess5
Is it possible to obtain a plausible experimental electronic structure without collecting high-order diffraction data?4
Effect of nano-SiC doping on the structure and superconducting properties of Mg(B1–x C x )24
Circumventing a challenging aspect of crystal structure determination from powder diffraction data4
Principles of Inorganic Materials Design, third edition. By John N. Lalena, David A. Cleary, Olivier B. M. Hardouin Duparc. Wiley, 2020. Hardcover, pp. 720. Price EUR 166.70. ISBN 978-1-119-4864
Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates4
Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks4
Phase transition in an organic ferroelectric: glycinium phosphite, with and without X-ray radiation damage4
Compressibility of structural modulation waves in the chain compounds BaCoX 2O7 (X = As, P): a powder study4
Ring formation of transition metal trichalcogenide TaSe3 using vapor liquid process4
Electric charge and salting in/out effects on glucagon's dipole moments and polarizabilities using the GruPol database4
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt2Cl4(NH3)2{μ-HN=C(O)But}2]4
Density functional theory investigation of the phase transition, elastic and thermal characteristics for AuMTe2(M = Ga, In) chalcopyrite compounds4
Jack David Dunitz (1923–2021) and chemical crystallography4
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt2Cl4(NH3)2{μ-HN=C(O)But}2], and Synthesis and s4
Solid-state versatility in tranexamic acid drug: structural and thermal behavior of new salts and cocrystals3
Chalcogen Chemistry: Fundamentals and Applications. Edited by Vito Lippolis, Claudio Santi, Eder J. Lenardão and Antonio L. Braga. Royal Society of Chemistry, 2023. Hardcover. Pp. 728. Price EU3
Elastic and piezoelectric properties of β-glycine – a quantum crystallography view on intermolecular interactions and a high-pressure phase transition3
A previously unknown cyclic alkanolamine and molecular ranking using the pair distribution function3
Structural transitions and mechanical properties of Zr2C under ambient and high-pressure conditions3
Synthesis and characterization of an organic–inorganic hybrid crystal: 2[Co(en)3](V4O13)·4H2O3
Radiation damage as a source of information3
X-ray diffraction and Mössbauer spectroscopy study of oxoborate azoproite (Mg,Fe2+)2(Fe3+,Ti,Mg,Al)O2(BO3): an in situ temperature-depende3
New data on the crystal chemistry of the natural two-layer aluminosilicates latiumite and tuscanite3
Crystallography meets orbital-free DFT – two-pronged approach towards chemical bonding characteristics in chemical bonding analysis3
Non-crystallographic helices in polymers and close-packed metallic crystals determined by the four-dimensional counterpart of the icosahedron3
Exploring the thermal behaviour of the solvated structures of nifedipine3
Hans-Beat Bürgi in Strasbourg – the story of an encounter3
Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study3
Features of the crystal structure and surface of superprotonic conductor caesium hydrogen sulfate phosphate3
A comprehensive characterization of thiophosgene in the solid state3
Kilobytes of kilopascals: high-pressure depositions of the Cambridge Structural Database3
Low-temperature phase transition and magnetic properties of K3YbSi2O73
π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis3
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug3
Rearrangements in the multiverse3
X-ray diffraction study of the atomic interactions, anharmonic displacements and inner-crystal field in orthorhombic KNbO33
Incommensurate magnetic structure of CrAs at low temperatures and high pressures3
Crystal structure and compressibility of magnesium chloride heptahydrate found under high pressure3
Anion substitution and influence of sulfur on the crystal structures, phase transitions, and electronic properties of mixed TiO2/TiS2 compounds3
Mapping high-pressure crystallography in a structural chemistry landscape3
Polymorphism, polytypism and modular aspect of compounds with the general formula A 2 M 3(TO43
A survey of thermal expansion coefficients for organic molecular crystals in the Cambridge Structural Database3
Synthesis and structural study of the partially disordered complex hexagonal phase δ1-MnZn9.73
Synthesis and structure of high-purity BaCe0.25Mn0.75O3: an improved material for thermochemical water splitting3
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