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    JCC
    1998
    42views more  JCC 1998»
    Free energy calculations in globular proteins: Methods to reduce errors
    13 years 5 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
    13 years 5 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
    13 years 5 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
    13 years 5 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
    13 years 5 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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