OOIR: Observatory of International Research

Papers

(The TQCC of Acta Crystallographica Section B-Structural Science Crystal Engineerin is 4. 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 2020-04-01 to 2024-04-01.)

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
Crystallization of chiral molecular compounds: what can be learned from the Cambridge Structural Database?	34
Melting points of one- and two-component molecular crystals as effective characteristics for rational design of pharmaceutical systems	24
Polyoxometalate clusters in minerals: review and complexity analysis	23
Czochralski growth of mixed cubic sesquioxide crystals in the ternary system Lu₂O₃–Sc₂O₃–Y₂O₃	23
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data	22
A new olanzapine cocrystal obtained from volatile deep eutectic solvents and determined by 3D electron diffraction	21
ChemEnv: a fast and robust coordination environment identification tool	21
Single crystals of ferroelectric lithium niobate–tantalate LiNb_1–xTa _x	18
Synthesis, crystal structure and structure–property relations of strontium orthocarbonate, Sr₂CO₄	16
Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles	14
Orbital-free quantum crystallography: view on forces in crystals	13
Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography	13
Developing orbital-free quantum crystallography: the local potentials and associated partial charge densities	13
A survey of thermal expansion coefficients for organic molecular crystals in the Cambridge Structural Database	12
Seven new metal–organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties	12
Mechanical behavior and phase change of alkali-silica reaction products under hydrostatic compression	11
Flux growth, structure refinement and Mössbauer studies of Fe_1– _x	11
The mechanism of solvent-mediated desolvation transformation of lenvatinib mesylate from dimethyl sulfoxide solvate to form D	11
Structure-directing sulfur...metal noncovalent semicoordination bonding	11
A novel energetic cocrystal composed of CL-20 and 1-methyl-2,4,5-trinitroimidazole with high energy and low sensitivity	11
Crystal structure of copper perchlorophthalocyanine analysed by 3D electron diffraction	10
Phase transition in an organic ferroelectric: glycinium phosphite, with and without X-ray radiation damage	10
X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review	10
Identifying and characterizing translationally modulated molecular crystal structures	10

Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer	9
Bone hierarchical structure: spatial variation across length scales	9
Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds	9
X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate	9
Polymorphism and surface diversity arising from stress-induced transformations – the case of multicomponent forms of carbamazepine	8
Pressure-induced Pb–Pb bonding and phase transition in Pb₂SnO₄	8
The role of local heteropolyhedral substitutions in the stoichiometry, topological characteristics and ion-migration paths in the eudialyte-related structures: a quantitative analysis	8
Anion substitution and influence of sulfur on the crystal structures, phase transitions, and electronic properties of mixed TiO₂/TiS₂ compounds	8
Bonding features in Appel's salt from the orbital-free quantum crystallographic perspective	8
On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide–water system	8
HAR, TAAM and BODD refinements of model crystal structures using Cu Kα and Mo Kα X-ray diffraction data	8
Synthesis, structure and properties of layered Pr₂MoO₆-based oxymolybdates doped with Mg	8
Crystal design by CH...N and N...N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds	8
The classification of 1D `perovskites'	8
Variations of quantum electronic pressure under the external compression in crystals with halogen bonds assembled in Cl₃-, Br₃-, I₃-synthons	8
Fine details of crystal structure and atomic vibrations in YbB₁₂with a metal–insulator transition	7
X-ray diffraction study of the atomic interactions, anharmonic displacements and inner-crystal field in orthorhombic KNbO₃	7
AB-stacked nanosheet-based hexagonal boron nitride	7
Prediction of orientation relationships and interface structures between α-, β-, γ-FeSi₂ and Si phases	7
Self-assembling of three rare structurally various homomultinuclear Cu^II complexes derived from a bis(salamo)-based multioxime ligand	7
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	7
Revisiting stacking interactions in tetrathiafulvalene and selected derivatives using tight-binding quantum chemical calculations and local coupled-cluster method	6
Charge density analysis of abiraterone acetate	6
Synthesis, crystal growth, characterization and DFT investigation of a nonlinear optically active cuminaldehyde derivative hydrazone	6
Structural and optical characterization of Er-doped CaMoO₄down-converting phosphors	6
Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li₆La₃ZrTaO₁₂: an in situ temperature-dependence investigation (2.5 ≤	6
Structure of boehmite-derived γ-alumina and its transformation mechanism revealed by electron crystallography	6
X-ray restrained extremely localized molecular orbitals for the embedding of quantum mechanical calculations	6
Preliminary observations of the interplay of radiation damage with spin crossover	6
Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions	6
Mechanistic insights into defect generation and tuning of optical properties in Zn_1−xFe_xAl₂O₄(0.01 ≤x≤ 0.40) nanocrystals	6
Nickel(II) complexes based on L-amino-acid-derived ligands: synthesis, characterization and study of the role of the supramolecular structure in carbon dioxide capture	5
The influence of refinement strategies on the wavefunctions derived from an experiment	5
Crystal structure of bismuth-containing NdFe₃(BO₃)₄ in the temperature range 20–500 K	5
High-pressure and environment effects in selenourea and its labile crystal field around molecules	5
Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies	5
The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivative	5
σ-Hole interactions in small-molecule compounds containing divalent sulfur groups R ₁—S—R ₂	5
Monoclinic SmAl₃(BO₃)₄: synthesis, structural and spectroscopic properties	5
Positron lifetime spectroscopy of defect structures in Cd_1–xZn_xTe mixed crystals grown by vertical Bridg	5
The effective volumes of waters of crystallization: general organic solids	5
0D to 3D Pr^III metal–organic networks crystal engineered for optimal iodine adsorption	5
Joint crystallization of KCuAl[PO₄]₂and K(Al,Zn)₂[(P,Si)O₄]₂: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial hetero	5
Polytypism in mcalpineite: a study of natural and synthetic Cu₃TeO₆	5
Effect of synchrotron X-ray radiation damage on phase transitions in coordination polymers at high pressure	5
A new linear phenyloxazole–benzothiadiazole luminophore: crystal growth, structure and fluorescence properties	5
Cation distribution in Cu₂ZnSnSe₄, Cu₂FeSnS₄and Cu₂ZnSiSe₄by multiple-edge anomalous diffraction	5
Investigation of thermal behavior of mixed-valent iron borates vonsenite and hulsite containing [OM₄]ⁿ⁺and [OM₅]ⁿ	5
Orientational disorder of monomethyl-quinacridone investigated by Rietveld refinement, structure refinement to the pair distribution function and lattice-energy minimizations	4
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	4

Solid-state electronegativity of atoms: new approaches	4
Dynamics and disorder: on the stability of pyrazinamide polymorphs	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
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	4
Dynamic simulation of orientational disorder in organic crystals: methyl groups, trifluoromethyl groups and whole molecules	4
The crystal structure of Cu₂GeSe₃ and the structure-types of the I₂-IV-VI₃ family of semiconducting compounds	4
The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene	4
Remarks on X-ray constrained/restrained wavefunction fitting	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
Fast crystal growth of amorphous nimesulide: implication of surface effects	4
New cubic cluster phases in the Mg–Ni–Ga system	4
Morphology of the GdVO₄crystal: first-principles studies	4
Hydrogen bonding in the crystal structure of phurcalite, Ca₂[(UO₂)₃O₂(PO₄)₂]·7H₂O: single-crystal X-ray study and TORQUE ca	4
Crystal structures and phase transitions of imidazolium hypodiphosphates	4
Site-occupancy scheme in disordered Ca₃RE₂(BO₃)₄: a dependence on rare-earth (RE) ionic radius	4
Structures and phase transitions in barium sodium niobate tungsten bronze (BNN)	4
Twinning in SnO₂-based ceramics doped with CoO and Nb₂O₅: morphology of multiple twins revealed by electron backscatter diffraction	4
K(Na,K)Na₂[Cu₂(SO₄)₄]: a new highly porous anhydrous sulfate and evaluation of possible ion migration pathways	4
Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties	4
π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis	4