Concepedia

Structure Determination

Structure Determination is the scientific process of elucidating the precise three-dimensional arrangement of atoms within a crystal lattice through the analysis of diffraction data, distinguished from other analytical methods by its reliance on crystallographic symmetry and positional coherence.

27.4K

Publications

2.1M

Citations

47.9K

Authors

4.6K

Institutions

Publications per year

2017–2026

1.6K

Parents

Children

Publications

27.4K

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

, , +14

Crystal structure refinement with<i>SHELXL</i>

George M. Sheldrick · Acta Crystallographica Section C Structural Chemistry · 2014 · 42.5K citations · Full text

, , +16

<i>OLEX2</i>: a complete structure solution, refinement and analysis program

Oleg V. Dolomanov, Luc J. Bourhis, Richard J. Gildea et al. · Journal of Applied Crystallography · 2009 · 31.6K citations

, , +16

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 30.7K citations · Full text

, , +13

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

Florian Weigend, Reinhart Ahlrichs · Physical Chemistry Chemical Physics · 2005 · 29.9K citations

, , +15

1–5 of 27.4K

Authors

47.9K

  1. DH
    David H. Templeton

    University of California, Berkeley, United States

    87 publications · 5.7K citations

    41

    h-index

  2. GM
    George M. Sheldrick

    University of Göttingen, Germany

    85 publications · 98K citations

    39

    h-index

  3. FA
    F. Albert Cotton

    Texas A&M University, United States

    76 publications · 3.5K citations

    37

    h-index

  4. WH
    W. H. Zachariasen

    University of Chicago, United States

    45 publications · 3.3K citations

    35

    h-index

  5. PD
    Paul D. Adams

    Lawrence Berkeley National Laboratory, United States

    46 publications · 62.1K citations

    33

    h-index

1–5 of 47.9K

Institutions

4.6K

  1. Centre National de la Recherche Scientifique

    Paris, France

    94 h-index

    2.4K publications

    181.2K citations

  2. Lawrence Berkeley National Laboratory

    Berkeley, United States

    81 h-index

    739 publications

    201.9K citations

  3. University of Cambridge

    Cambridge, United Kingdom

    66 h-index

    484 publications

    143.9K citations

  4. University of California, Berkeley

    Berkeley, United States

    64 h-index

    437 publications

    49.4K citations

  5. Brookhaven National Laboratory

    Upton, United States

    58 h-index

    421 publications

    43.4K citations

  6. University of Oxford

    Oxford, United Kingdom

    58 h-index

    484 publications

    70.8K citations

  7. Argonne National Laboratory

    Lemont, United States

    57 h-index

    489 publications

    38.7K citations

  8. The University of Tokyo

    Tokyo, Japan

    56 h-index

    698 publications

    31.3K citations

1–8 of 4.6K

Venues

  1. Journal of Applied Crystallography

    805 publications · 292.6K citations

    147

    h-index

  2. Acta Crystallographica

    1.2K publications · 80.9K citations

    126

    h-index

  3. Journal of the American Chemical Society

    JACS · 983 publications · 70.1K citations

    123

    h-index

  4. The Journal of Chemical Physics

    715 publications · 167.5K citations

    115

    h-index

  5. Acta Crystallographica Section B

    1.5K publications · 54.7K citations

    93

    h-index

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