Works matching IS 01928651 AND DT 2004 AND VI 25 AND IP 9
Results: 11
Improvement of parallelization performance of GAMESS: Global sum and (semi-)direct integral calculation in multireference perturbation calculation.
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- Journal of Computational Chemistry, 2004, v. 25, n. 9, p. 1175, doi. 10.1002/jcc.20042
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- Article
Development and testing of a general amber force field.
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- Journal of Computational Chemistry, 2004, v. 25, n. 9, p. 1157, doi. 10.1002/jcc.20035
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- Article
Sampling protein conformations and pathways.
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- Journal of Computational Chemistry, 2004, v. 25, n. 9, p. 1133, doi. 10.1002/jcc.20041
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Geometry optimization in density functional methods.
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- Journal of Computational Chemistry, 2004, v. 25, n. 9, p. 1109, doi. 10.1002/jcc.20034
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A precise boundary element method for macromolecular transport properties.
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- Journal of Computational Chemistry, 2004, v. 25, n. 9, p. 1191, doi. 10.1002/jcc.20045
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Publisher's note: Sir John A. Pople, 1925-2004.
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- Journal of Computational Chemistry, 2004, v. 25, n. 9, p. fmv, doi. 10.1002/jcc.20049
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- Article
Multicut-HDMR with an application to an ionospheric model.
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- Journal of Computational Chemistry, 2004, v. 25, n. 9, p. 1149, doi. 10.1002/jcc.20040
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Evaluation of the protein solvent-accessible surface using reduced representations in terms of critical points of the electron density.
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- Journal of Computational Chemistry, 2004, v. 25, n. 9, p. 1117, doi. 10.1002/jcc.20033
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Improved model core potentials for the second- and third-row transition metals.
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- Journal of Computational Chemistry, 2004, v. 25, n. 9, p. 1206, doi. 10.1002/jcc.20044
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Theoretical study on the mechanism of the <sup>1</sup>CHCl + NO<sub>2</sub> reactions.
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- Journal of Computational Chemistry, 2004, v. 25, n. 9, p. 1184, doi. 10.1002/jcc.20043
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- Article
Conformational energies for 2-substituted butanes.
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- Journal of Computational Chemistry, 2004, v. 25, n. 9, p. 1127, doi. 10.1002/jcc.20036
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- Article