Acta Crystallographica Section B-Structural Science Crystal Engineerin

Papers
(The TQCC of Acta Crystallographica Section B-Structural Science Crystal Engineerin is 2. 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 2021-04-01 to 2025-04-01.)
ArticleCitations
Can the results of quantum refinement be improved with a continuum-solvation model?28
One-dimensional diffuse scattering of 1,3-di(tert-butyl)cyclopentadienyl pentaphosphaferrocene modelled with closed-form expressions20
Lattice defects in quinacridone16
Crystal structure or chemical composition of salt–sugar-based metal–organic frameworks: what are the nonlinear optical properties due to?15
Meta-generalized gradient approximation time-dependent density functional theory study of electron trapping in Hf- and Zr-doped lutetium oxide: influencing the oxygen vacancy15
Comparison of the temperature- and pressure-dependent behavior of the crystal structure of CrAs15
Remarks on X-ray constrained/restrained wavefunction fitting14
Structural and magnetic properties of Y3(GaAlFe)5O12 liquid-phase epitaxy films with low ferromagnetic resonance losses13
Pressure-induced structural phase transitions in bismuth tungstate Bi2WO612
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb n Bi4Te4S 12
Structural reasons for the formation of multicomponent products and the influence of high pressure11
Proton tautomerism in 5-dimethylaminomethylidene-4-(o-,m-,p-hydroxyphenyl)amino-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies11
Analysis of magnetic structures in JANA202011
2/1 and 1/1 cubic approximants in the ternary R-Cd-Mg (R = Y, Er) systems11
Refinement of the crystal structure of fresnoite, Ba2TiSi2O8, from Löhley (Eifel district, Germany); Gladstone–Dale compatibility, electronic polarizability and vibrat11
Predicting co-crystal structures of N-halide phthalimides with 3,5-dimethylpyridine11
Three-dimensional electron diffraction on clinkers: the belite α′ H incommensurate modulated structure11
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes. Corrigendum10
Effect of La doping on the structure and cycloidal spin ordering in multiferroic BiFeO39
The study of mineral behavior at low and high temperatures and their properties using a combination of different methods has not become routine yet9
The hydrogen-bond network in sodium chloride tridecahydrate: analogy with ice VI9
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 dat8
Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis8
New Section Editor of Acta Crystallographica, Section B8
Low-temperature phase transition and high-pressure phase stability of 1H-pyrazole-1-carboxamidine nitrate8
Solid-state electronegativity of atoms: new approaches7
Zharchikhite, AlF(OH)2: a novel structure type related to α-PbO27
Electronic structure of (MePh3P)2[NiII(bdtCl2)2]·2(CH3)2SO and (MePh3P)[NiIII(bdtCl2)7
A new home for studies of crystal growth and characterisation7
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients7
Detailed analysis of deformation potentials with application in orbital-free density functional theory7
Quantifying weak interactions in ferroelectric and paraelectric phases of phenazine and chloroanilic acid co-crystal using experimental and theoretical electron densities7
A modulated structure derived from the XA-type Mn2RuSn Heusler compound6
Selective acceleration and inhibition of crystal growth of glass carbamazepine by low-concentration poly(ethylene oxide):effects of drug polymorph6
Structural properties of defective (CH3NH3)2Cu(Cl1–x Br x )4 co6
Structural and theoretical studies of amantadinium fenamates6
Evolution of microstructure and crystallographic texture throughout the rolling process of AA31046
(Na,Li)3(Cl,OH)[Cu3OAl(PO4)3]: a first salt-inclusion aluminophosphate oxocuprate with a new type of crystal structure6
Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates5
Circumventing a challenging aspect of crystal structure determination from powder diffraction data5
Ring formation of transition metal trichalcogenide TaSe3 using vapor liquid process5
Density functional theory investigation of the phase transition, elastic and thermal characteristics for AuMTe2(M = Ga, In) chalcopyrite compounds5
Modulation of the modulated magnetic structure of an Ho i-MAX phase described by a magnetic (3+2)-dimensional superspace group5
Compressibility of structural modulation waves in the chain compounds BaCoX 2O7 (X = As, P): a powder study5
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt2Cl4(NH3)2{μ-HN=C(O)But}2], and Synthesis and s5
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 978-1-119-4865
The bond valence model as a prospective approach: examination of the crystal structures of copper chalcogenides with Cu bond valence excess5
Jack David Dunitz (1923–2021) and chemical crystallography5
Structural and magnetic properties of β-Li2IrO3 after grazing-angle focused ion beam thinning4
Mesocrystalline structure and mechanical properties of biogenic calcite from sea urchin spine4
Computational analysis tools for magnetic structures in the Bilbao Crystallographic Server4
Resolving the structure of V3O7·H2O and Mo-substituted V3O7·H2O4
Electric charge and salting in/out effects on glucagon's dipole moments and polarizabilities using the GruPol database4
Site-occupancy scheme in disordered Ca3RE2(BO3)4: a dependence on rare-earth (RE) ionic radius4
Accurate H-atom parameters for the two polymorphs of L-histidine at 5, 105 and 295 K4
Is it possible to obtain a plausible experimental electronic structure without collecting high-order diffraction data?4
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt2Cl4(NH3)2{μ-HN=C(O)But}2]4
Thermal expansion and phase transformation in the rare earth di-titanate (R2Ti2O7) system4
Solid-state multinuclear magnetic resonance and X-ray crystallographic investigation of the phosphorus...iodine halogen bond in a bis(dicyclohexylphenylphosphine)(1,6-diiodoperfluorohexane) cocrystal4
Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks4
Effect of nano-SiC doping on the structure and superconducting properties of Mg(B1–x C x )24
Incommensurate magnetic structure of CrAs at low temperatures and high pressures3
X-ray diffraction and Mössbauer spectroscopy study of oxoborate azoproite (Mg,Fe2+)2(Fe3+,Ti,Mg,Al)O2(BO3): an in situ temperature-depende3
Synthesis and structural study of the partially disordered complex hexagonal phase δ1-MnZn9.73
Features of the crystal structure and surface of superprotonic conductor caesium hydrogen sulfate phosphate3
A previously unknown cyclic alkanolamine and molecular ranking using the pair distribution function3
Synthesis and structure of high-purity BaCe0.25Mn0.75O3: an improved material for thermochemical water splitting3
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
Non-crystallographic helices in polymers and close-packed metallic crystals determined by the four-dimensional counterpart of the icosahedron3
Radiation damage as a source of information3
Synthesis and characterization of an organic–inorganic hybrid crystal: 2[Co(en)3](V4O13)·4H2O3
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
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
Solid-state versatility in tranexamic acid drug: structural and thermal behavior of new salts and cocrystals3
Exploring the thermal behaviour of the solvated structures of nifedipine3
Kilobytes of kilopascals: high-pressure depositions of the Cambridge Structural Database3
Mapping high-pressure crystallography in a structural chemistry landscape3
A comprehensive characterization of thiophosgene in the solid state3
A survey of thermal expansion coefficients for organic molecular crystals in the Cambridge Structural Database3
Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study3
Elastic and piezoelectric properties of β-glycine – a quantum crystallography view on intermolecular interactions and a high-pressure phase transition3
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug3
Hans-Beat Bürgi in Strasbourg – the story of an encounter3
X-ray diffraction study of the atomic interactions, anharmonic displacements and inner-crystal field in orthorhombic KNbO33
Rearrangements in the multiverse3
Formation and crystallization of TiO2 nanostructures on various surfaces2
Synthesis, chiral crystal structure, and magnetic properties of Ba3Ga2O5Cl22
Structures of hexamethyl-[1,1′-biphenyl]-4,4′-diammonium salts2
Anion substitution and influence of sulfur on the crystal structures, phase transitions, and electronic properties of mixed TiO2/TiS2 compounds2
Electron density distribution in bis(guanidinium) disodium hypodiphosphate heptahydrate, (CH6N3)2Na2(P2O6)·7H2O2
Electron density and elastic properties of crystalline [Co(NH3)5NO2]ClNO3: a quantum crystallography study2
High-pressure and environment effects in selenourea and its labile crystal field around molecules2
Investigation of polar crystalline materials containing hydrochlorothiazide: electron density distribution and optical properties2
Preparation and crystallographic characterization of 1H-tetrazole/NaClO4 energetic cocrystal2
K0.72Na1.71Ca5.79Si6O19 – the first oligosilicate based on [Si6O19]-hexamers and its stability compared to cyclosilicates2
Phase transition in an organic ferroelectric: glycinium phosphite, with and without X-ray radiation damage2
Magnetic structure of the noncentrosymmetric magnet Sr2MnSi2O7 through irreducible representation and magnetic space group analyses2
Crystal structure and compressibility of magnesium chloride heptahydrate found under high pressure2
Crystallography of the litharge to massicot phase transformation from neutron powder diffraction data2
Revisiting the antiferromagnetic structure of Tb14Ag51: the importance of distinguishing alternative symmetries for a multidimensional order parameter2
Understanding distortions of inorganic substructures in chloridobismuthates(III)2
A comparison of the isostructural [Co(NH3)5NO2]XNO3 and [Co(NH3)5ONO]XNO3, X = Cl− or Br2
Crystal structure of the uranyl arsenate mineral hügelite, Pb2(UO2)3O2(AsO4)2(H2O)5, revisited: a correct unit c2
A new crystal phase of calcium stannate CaSn2O4(OH)2 and its physico-chemical properties2
Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives2
Crystal structure, XANES and charge distribution investigation of krennerite and sylvanite: analysis of Au—Te and Te—Te bonds in Au1–x Ag 2
Structural transitions and mechanical properties of Zr2C under ambient and high-pressure conditions2
Polymorphism, polytypism and modular aspect of compounds with the general formula A 2 M 3(TO42
SARAh – web representational analysis2
The need for a new generation of substructure searching software2
Strain distribution in GaN/AlN superlattices grown on AlN/sapphire templates: comparison of X-ray diffraction and photoluminescence studies2
Structural changes in Rochelle salt on phase transitions revisited in a multi-temperature single-crystal X-ray diffraction study2
Application of the method for visualization of noncovalent interactions in conformational polymorphs of four organic acids2
Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates2
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