# | Title | Journal | Year | Citations |
---|
1 | Crystal structure refinement withSHELXL | Acta Crystallographica Section C, Structural Chemistry | 2015 | 30,441 |
2 | PLATONSQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors | Acta Crystallographica Section C, Structural Chemistry | 2015 | 2,887 |
3 | Computational materials discovery: the case of the W–B system | Acta Crystallographica Section C, Structural Chemistry | 2014 | 87 |
4 | Tolerance factor and phase stability of the garnet structure | Acta Crystallographica Section C, Structural Chemistry | 2019 | 67 |
5 | Superconductivity of lithium-doped hydrogen under high pressure | Acta Crystallographica Section C, Structural Chemistry | 2014 | 59 |
6 | The self-assembling zwitterionic form ofL-phenylalanine at neutral pH | Acta Crystallographica Section C, Structural Chemistry | 2014 | 55 |
7 | Evolutionary search for new high-kdielectric materials: methodology and applications to hafnia-based oxides | Acta Crystallographica Section C, Structural Chemistry | 2014 | 44 |
8 | Chemistry and structure inActa Crystallographica Section C | Acta Crystallographica Section C, Structural Chemistry | 2015 | 35 |
9 | 13C and19F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles | Acta Crystallographica Section C, Structural Chemistry | 2017 | 34 |
10 | Manipulating topological phase transition by strain | Acta Crystallographica Section C, Structural Chemistry | 2014 | 32 |
11 | Folded conformations due to arene interactions in dissymmetric and symmetric butylidene-linker models based on pyrazolo[3,4-d]pyrimidine, purine and 7-deazapurine | Acta Crystallographica Section C, Structural Chemistry | 2014 | 29 |
12 | Structure and physicochemical characterization of a naproxen–picolinamide cocrystal | Acta Crystallographica Section C, Structural Chemistry | 2017 | 28 |
13 | Understanding metal–ligand interactions in coordination polymers using Hirshfeld surface analysis | Acta Crystallographica Section C, Structural Chemistry | 2019 | 26 |
14 | Synthesis, crystal structures and anti-inflammatory activity of fluorine-substituted 1,4,5,6-tetrahydrobenzo[h]quinazolin-2-amine derivatives | Acta Crystallographica Section C, Structural Chemistry | 2019 | 26 |
15 | Structure determination of KScS2, RbScS2and KLnS2(Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal–chemical discussion | Acta Crystallographica Section C, Structural Chemistry | 2015 | 24 |
16 | A list of organometallic kryptoracemates | Acta Crystallographica Section C, Structural Chemistry | 2015 | 23 |
17 | Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation | Acta Crystallographica Section C, Structural Chemistry | 2016 | 23 |
18 | Synthesis, crystal structure and biological properties of a cis-dichloridobis(diimine)copper(II) complex | Acta Crystallographica Section C, Structural Chemistry | 2018 | 23 |
19 | Synthesis, crystal structures and characterizations of three new copper(II) complexes including anti-inflammatory diclofenac | Acta Crystallographica Section C, Structural Chemistry | 2019 | 23 |
20 | NMR crystallography to probe the breathing effect of the MIL-53(Al) metal–organic framework using solid-state NMR measurements of 13C–27Al distances | Acta Crystallographica Section C, Structural Chemistry | 2017 | 22 |
21 | Single-crystal X-ray diffraction and NMR crystallography of a 1:1 cocrystal of dithianon and pyrimethanil | Acta Crystallographica Section C, Structural Chemistry | 2017 | 22 |
22 | Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity | Acta Crystallographica Section C, Structural Chemistry | 2018 | 22 |
23 | A quarter of a century after its synthesis and with >200 papers based on its use, `Co(CO3)0.5(OH)·0.11H2O′ proves to be Co6(CO3)2(OH)8·H2O from synchrotron powder diffraction data | Acta Crystallographica Section C, Structural Chemistry | 2019 | 22 |
24 | 1,1′-Diethyl-4,4′-bipyridine-1,1′-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide): multiple C—H...N hydrogen bonds form a complex sheet structure | Acta Crystallographica Section C, Structural Chemistry | 2014 | 21 |
25 | Some more space-group corrections | Acta Crystallographica Section C, Structural Chemistry | 2014 | 21 |
26 | 1,3,5-Tris(4-bromophenyl)benzene prenucleation clusters from metadynamics | Acta Crystallographica Section C, Structural Chemistry | 2014 | 21 |
27 | Tetrahydroberberine, a pharmacologically active naturally occurring alkaloid | Acta Crystallographica Section C, Structural Chemistry | 2015 | 21 |
28 | Crystal structure and photoluminescence properties of a new monomeric copper(II) complex: bis(3-{[(3-hydroxypropyl)imino]methyl}-4-nitrophenolato-κ3 O,N,O′)copper(II) | Acta Crystallographica Section C, Structural Chemistry | 2017 | 21 |
29 | First COVID-19 molecular docking with a chalcone-based compound: synthesis, single-crystal structure and Hirshfeld surface analysis study | Acta Crystallographica Section C, Structural Chemistry | 2020 | 21 |
30 | Poly[[chlorido(1,10-phenanthroline-κ2N,N′)copper(II)]-μ3-1,1,3,3-tetracyano-2-ethoxypropenido-κ3N:N′:N′′]: coordination polymer sheets linked into bilayers by hydrogen bonds | Acta Crystallographica Section C, Structural Chemistry | 2014 | 20 |
31 | The structural properties of a noncentrosymmetric polymorph of 4-aminobenzoic acid | Acta Crystallographica Section C, Structural Chemistry | 2014 | 20 |
32 | NMR Crystallography | Acta Crystallographica Section C, Structural Chemistry | 2017 | 20 |
33 | Recent advances of polyoxometalate-catalyzed selective oxidation based on structural classification | Acta Crystallographica Section C, Structural Chemistry | 2018 | 20 |
34 | New hydrophobicL-amino acid salts: maleates ofL-leucine,L-isoleucine andL-norvaline | Acta Crystallographica Section C, Structural Chemistry | 2015 | 19 |
35 | The challenging case of the theophylline–benzamide cocrystal | Acta Crystallographica Section C, Structural Chemistry | 2016 | 19 |
36 | A one-dimensional copper(II) coordination polymer incorporating succinate and N,N-diethylethylenediamine ligands: crystallographic analysis, vibrational and surface features, and DFT analysis | Acta Crystallographica Section C, Structural Chemistry | 2017 | 19 |
37 | A survey of interactions in crystal structures of pyrazine-based compounds | Acta Crystallographica Section C, Structural Chemistry | 2019 | 19 |
38 | Novel tantalum phosphate Na13Sr2Ta2(PO4)9: synthesis, crystal structure, DFT calculations and Dy3+-activated fluorescence performance | Acta Crystallographica Section C, Structural Chemistry | 2018 | 18 |
39 | Binary polymorphic cocrystals: an update on the available literature in the Cambridge Structural Database, including a new polymorph of the pharmaceutical 1:1 cocrystal theophylline–3,4-dihydroxybenzoic acid | Acta Crystallographica Section C, Structural Chemistry | 2018 | 18 |
40 | Distinguishing tautomerism in the crystal structure of (Z)-N-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide using DFT-D calculations and13C solid-state NMR | Acta Crystallographica Section C, Structural Chemistry | 2014 | 17 |
41 | Redetermination of NaGdS2, NaLuS2and NaYS2 | Acta Crystallographica Section C, Structural Chemistry | 2014 | 17 |
42 | Ligand-forced dimerization of copper(I)–olefin complexes bearing a 1,3,4-thiadiazole core | Acta Crystallographica Section C, Structural Chemistry | 2017 | 17 |
43 | Direct observation of the ZrIV interaction with the carboxamide bond in a noncovalent complex between Hen Egg White Lysozyme and a Zr-substituted Keggin polyoxometalate | Acta Crystallographica Section C, Structural Chemistry | 2018 | 17 |
44 | `NMR Crystallization':in-situNMR techniques for time-resolved monitoring of crystallization processes | Acta Crystallographica Section C, Structural Chemistry | 2017 | 16 |
45 | Synthesis, crystal structure and activity evaluation of novel 3,4-dihydro-1-benzoxepin-5(2H)-one derivatives as protein–tyrosine kinase (PTK) inhibitors | Acta Crystallographica Section C, Structural Chemistry | 2017 | 16 |
46 | The salt–cocrystal spectrum in salicylic acid–adenine: the influence of crystal structure on proton-transfer balance | Acta Crystallographica Section C, Structural Chemistry | 2019 | 16 |
47 | Single-crystal-to-single-crystal transformations triggered by dehydration in polyoxometalate-based compounds | Acta Crystallographica Section C, Structural Chemistry | 2018 | 16 |
48 | Captopril and its dimer captopril disulfide: comparative structural and conformational studies | Acta Crystallographica Section C, Structural Chemistry | 2015 | 15 |
49 | Nobiletin: a citrus flavonoid displaying potent physiological activity | Acta Crystallographica Section C, Structural Chemistry | 2016 | 15 |
50 | Higher hydrates of lithium chloride, lithium bromide and lithium iodide | Acta Crystallographica Section C, Structural Chemistry | 2018 | 15 |