Institution · Cambridge Crystallographic Data Centre
Most cited papers from Cambridge Crystallographic Data Centre
What are the most cited papers from Cambridge Crystallographic Data Centre?
The most cited paper from Cambridge Crystallographic Data Centre is "The Cambridge Structural Database" (Colin R. Groom, Ian J. Bruno, Matthew P. Lightfoot et al., 2016), with 10,346 citations. Next come "The Cambridge Structural Database: a quarter of a million crystal structures and rising" (10,334) and "Mercury CSD 2.0 – new features for the visualization and investigation of crystal structures" (8,868).
Showing 50 of 60 papers. Every paper with more than 330 citations is listed.
| # | Paper | ||
|---|---|---|---|
| 1 | The Cambridge Structural Database Colin R. Groom, Ian J. Bruno, Matthew P. Lightfoot et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials | Apr 2016 | 10,346 |
| 2 | The Cambridge Structural Database: a quarter of a million crystal structures and rising Frank H. Allen · Acta Crystallographica Section B Structural Science | 29 May 2002 | 10,334 |
| 3 | Mercury CSD 2.0 – new features for the visualization and investigation of crystal structures Clare F. Macrae, Ian J. Bruno, James A. Chisholm et al. · Journal of Applied Crystallography | 8 Mar 2008 | 8,868 |
| 4 | Mercury : visualization and analysis of crystal structures Clare F. Macrae, Paul R. Edgington, Patrick McCabe et al. · Journal of Applied Crystallography | 10 May 2006 | 7,127 |
| 5 | cclib: A library for package‐independent computational chemistry algorithms Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner · Journal of Computational Chemistry | 11 Sep 2007 | 6,214 |
| 6 | Mercury 4.0 : from visualization to analysis, design and prediction Clare F. Macrae, Ioana Şovago, Simon J. Cottrell et al. · Journal of Applied Crystallography | 25 Nov 2019 | 5,106 |
| 7 | New software for searching the Cambridge Structural Database and visualizing crystal structures Ian J. Bruno, Jason C. Cole, Paul R. Edgington et al. · Acta Crystallographica Section B Structural Science | 29 May 2002 | 3,135 |
| 8 | Improved protein–ligand docking using GOLD Marcel L. Verdonk, Jason C. Cole, Michael J. Hartshorn et al. · Proteins Structure Function and Bioinformatics | Aug 2003 | 3,103 |
| 9 | Crystal stability and the theory of ferroelectricity W. George Cochran · Advances In Physics | Oct 1960 | 1,489 |
| 10 | Intermolecular Nonbonded Contact Distances in Organic Crystal Structures: Comparison with Distances Expected from van der Waals Radii R. Scott Rowland, Robin Taylor · The Journal of Physical Chemistry | 1996 | 1,480 |
| 11 | The dislocation distribution, flow stress, and stored energy in cold-worked polycrystalline silver J. E. Bailey, P. B. Hirsch · Philosophical magazine | May 1960 | 1,215 |
| 12 | The Cambridge Structural Database in Retrospect and Prospect Colin R. Groom, Frank H. Allen · Angewandte Chemie International Edition | 2 Jan 2014 | 1,133 |
| 13 | Development of a Cambridge Structural Database Subset: A Collection of Metal–Organic Frameworks for Past, Present, and Future Peyman Z. Moghadam, Aurelia Li, Seth B. Wiggin et al. · Chemistry of Materials | 14 Mar 2017 | 1,125 |
| 14 | Retrieval of Crystallographically-Derived Molecular Geometry Information Ian J. Bruno, Jason C. Cole, Magnus Kessler et al. · Journal of Chemical Information and Computer Sciences | 13 Oct 2004 | 985 |
| 15 | Organic Fluorine Hardly Ever Accepts Hydrogen Bonds Jack David Dunitz, Robin Taylor · Chemistry - A European Journal | 1997 | 936 |
| 16 | CIF applications. XV.enCIFer: a program for viewing, editing and visualizing CIFs Frank H. Allen, Owen Johnson, G.P. Shields et al. · Journal of Applied Crystallography | 12 Mar 2004 | 838 |
| 17 | The Nature and Geometry of Intermolecular Interactions between Halogens and Oxygen or Nitrogen Jos P. M. Lommerse, Anthony J. Stone, Robin Taylor et al. · Journal of the American Chemical Society | 1996 | 807 |
| 18 | An open source chemical structure curation pipeline using RDKit A. Patrícia Bento, Anne Hersey, Eloy Félix et al. · Journal of Cheminformatics | 31 Aug 2020 | 799 |
| 19 | Lattice Dynamics and Phase Transitions of Strontium Titanate Roger Arthur Cowley · Physical Review | 18 May 1964 | 757 |
| 20 | The lattice dynamics of an anharmonic crystal Roger Arthur Cowley · Advances In Physics | Oct 1963 | 682 |
| 21 | Acid–base crystalline complexes and the pKa rule Aurora J. Cruz‐Cabeza · CrystEngComm | 2012 | 676 |
| 22 | Pharmaceutical Cocrystallization: Engineering a Remedy for Caffeine Hydration Andrew V. Trask, W. D. Samuel Motherwell, William Jones · Crystal Growth & Design | 3 Feb 2005 | 651 |
| 23 | Use of molecular docking computational tools in drug discovery Francesca Stanzione, Ilenia Giangreco, Jason C. Cole · Progress in medicinal chemistry | 2021 | 631 |
| 24 | Water clusters in organic molecular crystals Lourdes Infantes, Sam Motherwell · CrystEngComm | 2002 | 610 |
| 25 | Report on the sixth blind test of organic crystal structure prediction methods Anthony M. Reilly et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials | Aug 2016 | 608 |
| 26 | The structure of synthetic polypeptides. I. The transform of atoms on a helix W. George Cochran, Francis Harry Compton Crick, Vladimir Vand · Acta Crystallographica | 10 Sep 1952 | 602 |
| 27 | The crystallographic information file (CIF): a new standard archive file for crystallography Sydney R. Hall, Frank H. Allen, Ian David Brown · Acta Crystallographica Section A Foundations of Crystallography | Nov 1991 | 602 |
| 28 | DASH : a program for crystal structure determination from powder diffraction data William I. F. David, Kenneth Shankland, Jacco van de Streek et al. · Journal of Applied Crystallography | 10 Nov 2006 | 600 |
| 29 | A synthetic host-guest system achieves avidin-biotin affinity by overcoming enthalpy–entropy compensation M.V. Rekharsky, Tadashi Mori, Cheng Yang et al. · Proceedings of the National Academy of Sciences | 19 Dec 2007 | 589 |
| 30 | Physical stability enhancement of theophylline via cocrystallization Andrew V. Trask, WILLIAM D. S. MOTHERWELL, W. Jones · International Journal of Pharmaceutics | 6 May 2006 | 550 |
| 31 | A review of methods for the calculation of solution free energies and the modelling of systems in solution R. Skyner, James L. McDonagh, Colin R. Groom et al. · Physical Chemistry Chemical Physics | 2015 | 536 |
| 32 | Improving Mechanical Properties of Crystalline Solids by Cocrystal Formation: New Compressible Forms of Paracetamol Shyam B. Karki, Tomislav Friščić, L. Fábián et al. · Advanced Materials | 17 Jul 2009 | 529 |
| 33 | The estimation of dislocation densities in metals from X-ray data Peter Gay, P. B. Hirsch, Anthony E. Kelly · Acta Metallurgica | May 1953 | 523 |
| 34 | Applications of the Cambridge Structural Database in organic chemistry and crystal chemistry Frank H. Allen, W. D. Samuel Motherwell · Acta Crystallographica Section B Structural Science | 29 May 2002 | 505 |
| 35 | Bond lengths in organic and metal-organic compounds revisited: X —H bond lengths from neutron diffraction data Frank H. Allen, Ian J. Bruno · Acta Crystallographica Section B Structural Science | 14 May 2010 | 496 |
| 36 | LXVIII. Direct observations of the arrangement and motion of dislocations in aluminium P. B. Hirsch, Robert W. Horne, M. J. Whelan · Philosophical magazine | Jul 1956 | 476 |
| 37 | A kinematical theory of diffraction contrast of electron transmission microscope images of dislocations and other defects Peter Bernhard Hirsch, Michael John Whelan · Philosophical Transactions of the Royal Society of London Series A Mathematical and Physical Sciences | 5 May 1960 | 453 |
| 38 | The recrystallization process in some polycrystalline metals J. E. Bailey, Peter Bernhard Hirsch · Proceedings of the Royal Society of London A Mathematical and Physical Sciences | 24 Apr 1962 | 446 |
| 39 | A test of crystal structure prediction of small organic molecules Jos P. M. Lommerse, WILLIAM D. S. MOTHERWELL, Herman L. Ammon et al. · Acta Crystallographica Section B Structural Science | Aug 2000 | 445 |
| 40 | Diffraction contrast of electron microscope images of crystal lattice defects - II. The development of a dynamical theory Archibald Howie, M. J. Whelan · Proceedings of the Royal Society of London A Mathematical and Physical Sciences | 5 Sep 1961 | 441 |
| 41 | Extended motifs from water and chemical functional groups in organic molecular crystals Lourdes Infantes, James A. Chisholm, Sam Motherwell · CrystEngComm | 2003 | 435 |
| 42 | A third blind test of crystal structure prediction Graeme Matthew Day et al. · Acta Crystallographica Section B Structural Science | 23 Sep 2005 | 434 |
| 43 | Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test David A. Bardwell et al. · Acta Crystallographica Section B Structural Science | 17 Nov 2011 | 433 |
| 44 | Direct observations of defects in quenched gold J. Silcox, Peter Bernhard Hirsch · Philosophical magazine | 1959 | 433 |
| 45 | A new test set for validating predictions of protein–ligand interaction J. Willem M. Nissink, Christopher W. Murray, Mike Hartshorn et al. · Proteins Structure Function and Bioinformatics | 8 Oct 2002 | 429 |
| 46 | Dielectric constants and lattice vibrations W. George Cochran, Roger Arthur Cowley · Journal of Physics and Chemistry of Solids | May 1962 | 397 |
| 47 | Crystal structure prediction of small organic molecules: a second blind test WILLIAM D. S. MOTHERWELL, Herman L. Ammon, Jack David Dunitz et al. · Acta Crystallographica Section B Structural Science | 30 Jul 2002 | 397 |
| 48 | Solvent-drop grinding: green polymorph control of cocrystallisationElectronic supplementary information (ESI) available: additional powder XRD patterns. See http://www.rsc.org/suppdata/cc/b4/b400978a/ Andrew V. Trask, W. D. Samuel Motherwell, William Jones · Chemical Communications | 2004 | 392 |
| 49 | Modeling Water Molecules in Protein−Ligand Docking Using GOLD Marcel L. Verdonk, Gianni Chessari, Jason C. Cole et al. · Journal of Medicinal Chemistry | 14 Sep 2005 | 392 |
| 50 | Screening for Inclusion Compounds and Systematic Construction of Three‐Component Solids by Liquid‐Assisted Grinding Tomislav Friščić, Andrew V. Trask, William Jones et al. · Angewandte Chemie International Edition | 19 Oct 2006 | 387 |
Citations are OpenAlex's own counts, from its 2026-09-23 snapshot, so the ranking can differ from Google Scholar or Web of Science. A paper is listed for an institution when any of its authors gave it as an affiliation; retracted papers and papers whose citation count cannot be traced to citing works are left out, and a preprint and the article it became are shown once. Release dates are OpenAlex's: where a source gave only a month or a year, that is what is shown. How the lists are chosen.