# | Title | Journal | Year | Citations |
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1 | First principles methods using CASTEP | Zeitschrift Fur Kristallographie - Crystalline Materials | 2005 | 9,458 |
2 | Crystallographic Computing System JANA2006: General features | Zeitschrift Fur Kristallographie - Crystalline Materials | 2014 | 3,399 |
3 | XXV. Zur Frage der Geschwindigkeit des Wachsthums und der Auflösung der Krystallflächen | Zeitschrift Fur Kristallographie - Crystalline Materials | 1901 | 1,710 |
4 | A brief introduction to the ABINIT software package | Zeitschrift Fur Kristallographie - Crystalline Materials | 2005 | 1,101 |
5 | CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals | Zeitschrift Fur Kristallographie - Crystalline Materials | 2005 | 824 |
6 | Bilbao Crystallographic Server: I. Databases and crystallographic computing programs | Zeitschrift Fur Kristallographie - Crystalline Materials | 2006 | 811 |
7 | Chemical bonding in crystals: new directions | Zeitschrift Fur Kristallographie - Crystalline Materials | 2005 | 538 |
8 | EosFit7c and a Fortran module (library) for equation of state calculations | Zeitschrift Fur Kristallographie - Crystalline Materials | 2014 | 410 |
9 | Mathematische Theorie der Regelung nach der Korngestah bei affiner Deformation | Zeitschrift Fur Kristallographie - Crystalline Materials | 1932 | 387 |
10 | Macromolecular phasing with SHELXE | Zeitschrift Fur Kristallographie - Crystalline Materials | 2002 | 344 |
11 | Multianvil high-pressure / high-temperature synthesis in solid state chemistry | Zeitschrift Fur Kristallographie - Crystalline Materials | 2004 | 289 |
12 | AlB2-related intermetallic compounds – a comprehensive view based on group-subgroup relations | Zeitschrift Fur Kristallographie - Crystalline Materials | 2001 | 266 |
13 | Structural analysis of complex materials using the atomic pair distribution function — a practical guide | Zeitschrift Fur Kristallographie - Crystalline Materials | 2003 | 249 |
14 | Twenty years of structure research on quasicrystals. Part I. Pentagonal, octagonal, decagonal and dodecagonal quasicrystals | Zeitschrift Fur Kristallographie - Crystalline Materials | 2004 | 220 |
15 | Structural aspects of the M1 and M2 phases in MoVNbTeO propane ammoxidation catalysts | Zeitschrift Fur Kristallographie - Crystalline Materials | 2004 | 192 |
16 | Classical vibrational modes in phononic lattices: theory and experiment | Zeitschrift Fur Kristallographie - Crystalline Materials | 2005 | 189 |
17 | XXII. The Structure of Sodalite and Helvite. | Zeitschrift Fur Kristallographie - Crystalline Materials | 1930 | 182 |
18 | Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates | Zeitschrift Fur Kristallographie - Crystalline Materials | 1981 | 179 |
19 | First-principles codes for computational crystallography in the Quantum-ESPRESSO package | Zeitschrift Fur Kristallographie - Crystalline Materials | 2005 | 177 |
20 | XXV. The Structure of Silicates | Zeitschrift Fur Kristallographie - Crystalline Materials | 1930 | 175 |
21 | GULP: Capabilities and prospects | Zeitschrift Fur Kristallographie - Crystalline Materials | 2005 | 167 |
22 | Charge density studies utilizing powder diffraction and MEM. Exploring of high Tc superconductors, C60 superconductors and manganites | Zeitschrift Fur Kristallographie - Crystalline Materials | 2001 | 164 |
23 | The stannides YbPtSn and Yb2Pt3Sn5 | Zeitschrift Fur Kristallographie - Crystalline Materials | 1999 | 162 |
24 | Calculation of lattice energies of organic crystals: the PIXEL integration method in comparison with more traditional methods | Zeitschrift Fur Kristallographie - Crystalline Materials | 2005 | 162 |
25 | The crystal structure of the 11Å natural tobermorite Ca2.25[Si3O7.5(OH)1.5] · 1H2O | Zeitschrift Fur Kristallographie - Crystalline Materials | 1981 | 157 |
26 | Clinoptilolite: the distribution of potassium atoms and its role in thermal stability | Zeitschrift Fur Kristallographie - Crystalline Materials | 1977 | 152 |
27 | Crystal structure determination from powder diffraction data by the application of a genetic algorithm | Zeitschrift Fur Kristallographie - Crystalline Materials | 1997 | 151 |
28 | X-ray computed tomography in Zernike phase contrast mode at 8 keV with 50-nm resolution using Cu rotating anode X-ray source | Zeitschrift Fur Kristallographie - Crystalline Materials | 2007 | 151 |
29 | Refinement of the Fe4Al13 structure and its relationship to the quasihomological homeotypical structures | Zeitschrift Fur Kristallographie - Crystalline Materials | 1994 | 150 |
30 | Spinel structures: with and without variate atom equipoints | Zeitschrift Fur Kristallographie - Crystalline Materials | 1932 | 149 |
31 | Enumeration of periodic tetrahedral frameworks | Zeitschrift Fur Kristallographie - Crystalline Materials | 1997 | 148 |
32 | MOLDRAW: Molecular graphics on a personal computer | Zeitschrift Fur Kristallographie - Crystalline Materials | 1993 | 142 |
33 | A Direct Method for the Determination of the Components of Interatomic Distances in Crystals | Zeitschrift Fur Kristallographie - Crystalline Materials | 1935 | 138 |
34 | The Structure of Sanidine and Other Felspars | Zeitschrift Fur Kristallographie - Crystalline Materials | 1933 | 133 |
35 | Are the compressive effects of encapsulation an artifact of the bond valence parameters? | Zeitschrift Fur Kristallographie - Crystalline Materials | 2001 | 132 |
36 | Effective coordination numbers (ECoN) and mean fictive ionic radii (MEFIR) | Zeitschrift Fur Kristallographie - Crystalline Materials | 1979 | 129 |
37 | Single-crystal-to-single-crystal [2 + 2] photodimerizations: from discovery to design | Zeitschrift Fur Kristallographie - Crystalline Materials | 2005 | 129 |
38 | 8. The Crystal Structure of Bixbyite and the C-Modification of the Sesquioxides | Zeitschrift Fur Kristallographie - Crystalline Materials | 1930 | 127 |
39 | The role of OH and H2O in oxide and oxysalt minerals | Zeitschrift Fur Kristallographie - Crystalline Materials | 1992 | 127 |
40 | Crystal engineering of the composition of pharmaceutical phases. 3. Primary amide supramolecular heterosynthons and their role in the design of pharmaceutical co-crystals | Zeitschrift Fur Kristallographie - Crystalline Materials | 2005 | 127 |
41 | The Crystal Structure of “Beta Alumina” Na2O·11Al2O3 | Zeitschrift Fur Kristallographie - Crystalline Materials | 1937 | 126 |
42 | Solving the 3D structure of metal nanoparticles | Zeitschrift Fur Kristallographie - Crystalline Materials | 2007 | 125 |
43 | A contribution to borate crystal chemistry: Rules for the occurrence of polyborate anion types | Zeitschrift Fur Kristallographie - Crystalline Materials | 2001 | 122 |
44 | Description of X-ray powder pattern of turbostratically disordered layer structures with a Rietveld compatible approach | Zeitschrift Fur Kristallographie - Crystalline Materials | 2004 | 120 |
45 | Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates | Zeitschrift Fur Kristallographie - Crystalline Materials | 1981 | 119 |
46 | Intermetallic compounds with ordered U3Si2 or Zr3Al2 type structure – crystal chemistry, chemical bonding and physical properties | Zeitschrift Fur Kristallographie - Crystalline Materials | 2003 | 119 |
47 | Nonstoichiometric structures during dehydroxylation of goethite | Zeitschrift Fur Kristallographie - Crystalline Materials | 1989 | 118 |
48 | A better FOX: using flexible modelling and maximum likelihood to improve direct-space ab initio structure determination from powder diffraction | Zeitschrift Fur Kristallographie - Crystalline Materials | 2004 | 117 |
49 | On the Theory of Super-Lattice Structures in Alloys | Zeitschrift Fur Kristallographie - Crystalline Materials | 1935 | 116 |
50 | XX. Die Kristallstruktur der Granate | Zeitschrift Fur Kristallographie - Crystalline Materials | 1929 | 115 |