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Gerald R. Kneller

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Books and Theses

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1988
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Gerald R. Kneller:
Computersimulation von Neutronenstreuexperimenten an molekularen Flüssigkeiten am Beispiel von Dichlormethan. RWTH Aachen University, Germany, 1988, pp. 1-203

Journal Articles

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2012
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Konrad Hinsen, Eric Pellegrini, Slawomir Stachura, Gerald R. Kneller:
nMoldyn 3: Using task farming for a parallel spectroscopy-oriented analysis of molecular dynamics simulations. J. Comput. Chem. 33(25): 2043-2048 (2012)
2011
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Gerald R. Kneller:
Comment on "Fast determination of the optimal rotational matrix for macromolecular superpositions" [J. Comp. Chem. 31 1561 (2010)]. J. Comput. Chem. 32(1): 183-184 (2011)
2005
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Branislav Brutovsky, Gerald R. Kneller:
Linear prediction of force time series to accelerate molecular dynamics simulations. Comput. Phys. Commun. 169(1-3): 339-342 (2005)
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Gerald R. Kneller:
Comment on Using quaternions to calculate RMSD [J. Comp. Chem. 25, 1849 (2004)]. J. Comput. Chem. 26(15): 1660-1662 (2005)
2003
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Tomasz Róg, Krzysztof Murzyn, Konrad Hinsen, Gerald R. Kneller:
nMoldyn: A program package for a neutron scattering oriented analysis of molecular dynamics simulations. J. Comput. Chem. 24(5): 657-667 (2003)

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