Works matching IS 01928651 AND DT 2002 AND VI 23 AND IP 2
Results: 12
Mechanism for large first hyperpolarizabilities of phosphonic acid stilbene derivatives.
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- Journal of Computational Chemistry, 2002, v. 23, n. 2, p. 291, doi. 10.1002/jcc.10006
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Support vector machines for predicting HIV protease cleavage sites in protein.
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- Journal of Computational Chemistry, 2002, v. 23, n. 2, p. 267, doi. 10.1002/jcc.10017
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Chemical shift driven geometry optimization.
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- Journal of Computational Chemistry, 2002, v. 23, n. 2, p. 298, doi. 10.1002/jcc.10012
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Prediction of aqueous solubility of drugs and pesticides with COSMO-RS.
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- Journal of Computational Chemistry, 2002, v. 23, n. 2, p. 275, doi. 10.1002/jcc.1168
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Efficient linear algebra routines for symmetric matrices stored in packed form.
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- Journal of Computational Chemistry, 2002, v. 23, n. 2, p. 306, doi. 10.1002/jcc.10027
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MM3 parametrization of four- and five-coordinated rhenium complexes by a genetic algorithm-Which factors influence the optimization performance?
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- Journal of Computational Chemistry, 2002, v. 23, n. 2, p. 282, doi. 10.1002/jcc.10000
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Conformational analysis: A new approach by means of chemometrics.
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- Journal of Computational Chemistry, 2002, v. 23, n. 2, p. 222, doi. 10.1002/jcc.10004
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Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy.
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- Journal of Computational Chemistry, 2002, v. 23, n. 2, p. 214, doi. 10.1002/jcc.1167
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Spectral density calculation by using the Chebyshev expansion.
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- Journal of Computational Chemistry, 2002, v. 23, n. 2, p. 310, doi. 10.1002/jcc.10010
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Linear scaling local correlation approach for solving the coupled cluster equations of large systems.
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- Journal of Computational Chemistry, 2002, v. 23, n. 2, p. 237, doi. 10.1002/jcc.10003
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Combined ab initio/empirical approach for optimization of Lennard-Jones parameters for polar-neutral compounds.
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- Journal of Computational Chemistry, 2002, v. 23, n. 2, p. 199, doi. 10.1002/jcc.1166
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Ab initio prediction of helical segments in polypeptides.
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- Journal of Computational Chemistry, 2002, v. 23, n. 2, p. 245, doi. 10.1002/jcc.10002
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- Article