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    JCC
    1998
    42views more  JCC 1998»
    Free energy calculations in globular proteins: Methods to reduce errors
    14 years 11 months ago
    Free energy calculations in globular proteins: Methods to reduce errors
    Download  matisse.chem.uniroma1.it
    Alfredo Di Nola, Axel T. Brünger
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    JCC
    1998
    66views more  JCC 1998»
    Searching for saddle points of potential energy surfaces by following a reduced gradient
    14 years 11 months ago
    Searching for saddle points of potential energy surfaces by following a reduced gradient
    Download  www.math.uni-leipzig.de
    Wolfgang Quapp, Michael Hirsch, Olaf Imig, Dietmar...
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    JCC
    1998
    60views more  JCC 1998»
    Automated selection of optimal Gaussian fits to arbitrary functions in electronic structure theory
    14 years 11 months ago
    Automated selection of optimal Gaussian fits to arbitrary functions in electronic structure theory
    Download  www.princeton.edu
    Claudine C. Tazartes, Christopher Radcliffe Anders...
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    JCC
    1998
    120views more  JCC 1998»
    Development of a parallel molecular dynamics code on SIMD computers: Algorithm for use of pair list criterion
    14 years 11 months ago
    Development of a parallel molecular dynamics code on SIMD computers: Algorithm for use of pair list criterion
    Download  matisse.chem.uniroma1.it
    Danilo Roccatano, R. Bizzarri, G. Chillemi, N. San...
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    JCC
    1998
    61views more  JCC 1998»
    Effect of available volumes on radial distribution functions
    14 years 11 months ago
    Effect of available volumes on radial distribution functions
    Download  fias.uni-frankfurt.de
    Timothy Astley, Gordon G. Birch, Michael G. B. Dre...
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