OOIR: Observatory of International Research

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 2020-11-01 to 2024-11-01.)

Article	Citations
A half-salamo-based pyridine-containing ligand and its novel Ni^II complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirsh	42
Czochralski growth of mixed cubic sesquioxide crystals in the ternary system Lu₂O₃–Sc₂O₃–Y₂O₃	26
Single crystals of ferroelectric lithium niobate–tantalate LiNb_1–xTa _x	23
A new olanzapine cocrystal obtained from volatile deep eutectic solvents and determined by 3D electron diffraction	22
Synthesis, crystal structure and structure–property relations of strontium orthocarbonate, Sr₂CO₄	19
Flux growth, structure refinement and Mössbauer studies of Fe_1– _x	17
Developing orbital-free quantum crystallography: the local potentials and associated partial charge densities	16
A survey of thermal expansion coefficients for organic molecular crystals in the Cambridge Structural Database	16
A novel energetic cocrystal composed of CL-20 and 1-methyl-2,4,5-trinitroimidazole with high energy and low sensitivity	15
X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review	14
Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles	14
Seven new metal–organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties	13
Bone hierarchical structure: spatial variation across length scales	12
X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate	11
Phase transition in an organic ferroelectric: glycinium phosphite, with and without X-ray radiation damage	11
Crystal structure of copper perchlorophthalocyanine analysed by 3D electron diffraction	11
Polymorphism and surface diversity arising from stress-induced transformations – the case of multicomponent forms of carbamazepine	10
Anion substitution and influence of sulfur on the crystal structures, phase transitions, and electronic properties of mixed TiO₂/TiS₂ compounds	10
Pressure-induced Pb–Pb bonding and phase transition in Pb₂SnO₄	9
On the transfer of theoretical multipole parameters for restoring static electron density and revealing and treating atomic anharmonic motion. Features of chemical bonding in crystals of an isocyanuri	9
X-ray restrained extremely localized molecular orbitals for the embedding of quantum mechanical calculations	9
Bonding features in Appel's salt from the orbital-free quantum crystallographic perspective	9
Low-temperature investigation of natural iron-rich oxoborates vonsenite and hulsite: thermal deformations of crystal structure, strong negative thermal expansion and cascades of magnetic transitions	9
Synthesis, crystal growth, characterization and DFT investigation of a nonlinear optically active cuminaldehyde derivative hydrazone	9
Fine details of crystal structure and atomic vibrations in YbB₁₂with a metal–insulator transition	9

The classification of 1D `perovskites'	9
The role of local heteropolyhedral substitutions in the stoichiometry, topological characteristics and ion-migration paths in the eudialyte-related structures: a quantitative analysis	9
X-ray diffraction study of the atomic interactions, anharmonic displacements and inner-crystal field in orthorhombic KNbO₃	9
AB-stacked nanosheet-based hexagonal boron nitride	8
HAR, TAAM and BODD refinements of model crystal structures using Cu Kα and Mo Kα X-ray diffraction data	8
The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivative	8
Crystal design by CH...N and N...N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds	8
X-ray diffraction and Mössbauer spectroscopy study of oxoborate azoproite (Mg,Fe²⁺)₂(Fe³⁺,Ti,Mg,Al)O₂(BO₃): an in situ temperature-depende	8
Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li₆La₃ZrTaO₁₂: an in situ temperature-dependence investigation (2.5 ≤	8
Fast crystal growth of amorphous nimesulide: implication of surface effects	8
Self-assembling of three rare structurally various homomultinuclear Cu^II complexes derived from a bis(salamo)-based multioxime ligand	7
Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions	7
Polytypism in mcalpineite: a study of natural and synthetic Cu₃TeO₆	7
Crystal structure of bismuth-containing NdFe₃(BO₃)₄ in the temperature range 20–500 K	7
The influence of refinement strategies on the wavefunctions derived from an experiment	7
A new linear phenyloxazole–benzothiadiazole luminophore: crystal growth, structure and fluorescence properties	7
Structures and phase transitions in barium sodium niobate tungsten bronze (BNN)	6
Charge density analysis of abiraterone acetate	6
A general model for the crystal structure of orthorhombic martensite in Ti alloys	6
Preliminary observations of the interplay of radiation damage with spin crossover	6
Effect of synchrotron X-ray radiation damage on phase transitions in coordination polymers at high pressure	6
Thermal expansion and phase transformation in the rare earth di-titanate (R₂Ti₂O₇) system	6
Revisiting stacking interactions in tetrathiafulvalene and selected derivatives using tight-binding quantum chemical calculations and local coupled-cluster method	6
Structure of boehmite-derived γ-alumina and its transformation mechanism revealed by electron crystallography	6
Remarks on X-ray constrained/restrained wavefunction fitting	6
Hydrogen-bond directionality and symmetry in [C(O)NH](N)₂P(O)-based structures: a comparison between X-ray crystallography data and neutron-normalized values, and evaluation of reliability	5
Positron lifetime spectroscopy of defect structures in Cd_1–xZn_xTe mixed crystals grown by vertical Bridg	5
Kilobytes of kilopascals: high-pressure depositions of the Cambridge Structural Database	5
Crystal structure, absolute configuration and characteristic temperatures of SmFe₃(BO₃)₄ in the temperature range 11–400 K	5
High-pressure and environment effects in selenourea and its labile crystal field around molecules	5
π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis	5
Dynamics and disorder: on the stability of pyrazinamide polymorphs	5
Cation distribution in Cu₂ZnSnSe₄, Cu₂FeSnS₄and Cu₂ZnSiSe₄by multiple-edge anomalous diffraction	5
Solid-state electronegativity of atoms: new approaches	5
Dynamic simulation of orientational disorder in organic crystals: methyl groups, trifluoromethyl groups and whole molecules	4
Single crystal X-ray structure determination and temperature-dependent structural studies of the smectogenic compound 7OS5	4
The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene	4
Analytical description of nanowires. I. Regular cross sections for zincblende and diamond structures. Corrigendum	4
A cocrystal of L-ascorbic acid with picolinic acid: the role of O—H...O, N—H...O and C—H...O hydrogen bonds and L-ascorbic acid conformation in structure stabilization	4
Direct interpretation of the X-ray and neutron three-dimensional difference pair distribution functions (3D-ΔPDFs) of yttria-stabilized zirconia	4
K(Na,K)Na₂[Cu₂(SO₄)₄]: a new highly porous anhydrous sulfate and evaluation of possible ion migration pathways	4
Crystal structure, XANES and charge distribution investigation of krennerite and sylvanite: analysis of Au—Te and Te—Te bonds in Au_1–xAg	4
The crystal structure of Cu₂GeSe₃ and the structure-types of the I₂-IV-VI₃ family of semiconducting compounds	4
Crystal structures	4
Clarification of the ordering of intercalated Fe atoms in Fe _x TiS₂ and its effect on the magnetic properties	4
Crystal structure of the high-P polymorph of Ca₂B₆O₆(OH)₁₀·2(H₂O) (meyerhofferite)	4
Structure of lithium tellurite and vanadium lithium tellurite glasses by high-energy X-ray and neutron diffraction	4
Interpreting the different emissive properties of cyclic triimidazole-based Cu^I and Ag^I coordination polymers: a QTAIM and IQA study	4
Polymorphism, polytypism and modular aspect of compounds with the general formula A ₂ M ₃(TO₄	4
Site-occupancy scheme in disordered Ca₃RE₂(BO₃)₄: a dependence on rare-earth (RE) ionic radius	4

Comparative study of conventional and synchrotron X-ray electron densities on molecular crystals	4
Two conformational polymorphs of 4-methylhippuric acid	4
Analysis of diffuse scattering in electron diffraction data for the crystal structure determination of Pigment Orange 13, C₃₂H₂₄Cl₂N₈O₂	4
Structure–property relationships of molecular shape and orientation with compression and expansion of xylitol	4
Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy	3
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt₂Cl₄(NH₃)₂{μ-HN=C(O)Bu^t}₂]	3
Low-temperature phase transition and high-pressure phase stability of 1H-pyrazole-1-carboxamidine nitrate	3
Accurate H-atom parameters for the two polymorphs of L-histidine at 5, 105 and 295 K	3
The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides	3
Mg(H₂O)₂[TeO₂(OH)₄]: a polytypic structure with a two-mode disordered stacking arrangement	3
Conductivity, its anisotropy and changes as a manifestation of the features of the atomic and real structures of superprotonic [K_1–x(NH₄)	3
The effect of hydrostatic compression on the crystal structure of glycinium phosphite	3
Synthesis and investigation of the thermal properties of [Co(NH₃)₆][Co(C₂O₄)₃]·3H₂O and [Ir(NH₃)₆][Ir(C₂	3
Revisiting the antiferromagnetic structure of Tb₁₄Ag₅₁: the importance of distinguishing alternative symmetries for a multidimensional order parameter	3
Structural properties of defective (CH₃NH₃)₂Cu(Cl_1–xBr_x)₄ co	3
Crystal structure, hydrogen bonds and thermal transformations of superprotonic conductor Cs₆(SO₄)₃(H₃PO₄)₄	3
Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis	3
Crystal structure refinement, low- and high-temperature X-ray diffraction and Mössbauer spectroscopy study of the oxoborate ludwigite from the Iten'yurginskoe deposit	3
Oxonium trans-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid	3
A new look at two polymorphic crystal structures of dibenzoylmethane: relationship between the crystal packing and the hydrogen atom position revealed by quantum chemistry and quantum crystallography	3
Preparation of polyethylene oxide single crystals via liquid gating technology and morphology design strategy	3
Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material	3
Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates	3
Jack David Dunitz (1923–2021) and chemical crystallography	3
Crystal structure and enantiomeric layer disorder of a copper(I) nitrate π-coordination compound	3
Crystal structure of Z-DNA in complex with the polyamine putrescine and potassium cations at ultra-high resolution	3
Refinement of the crystal structure of fresnoite, Ba₂TiSi₂O₈, from Löhley (Eifel district, Germany); Gladstone–Dale compatibility, electronic polarizability and vibrat	3
Study on the structural phase transitions in NaSICON-type compounds using Ag₃Sc₂(PO₄)₃ as a model system	3
Deformation of polyiodides in Cs₂I₈ crystals at high pressure	3
Size-dependent strain in fivefold twins of gold	3
Properties and interactions – melting point of tribromobenzene isomers	3
Ab initio simulations of α- and β-ammonium carbamate (NH₄·NH₂CO₂), and the thermal expansivity of deuterated α-ammonium carbamate from 4.2 to 180 K by neutron p	3