Works matching IS 01928651 AND DT 2000 AND VI 21 AND IP 11
Results: 9
Quantum chemical calculation of Henry constants of diatomic molecules in faujasite-type zeolites.
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- Journal of Computational Chemistry, 2000, v. 21, n. 11, p. 909, doi. 10.1002/1096-987X(200008)21:11<909::AID-JCC1>3.0.CO;2-6
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Multicanonical Monte Carlo calculation of the free-energy map of the base-amino acid interaction.
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- Journal of Computational Chemistry, 2000, v. 21, n. 11, p. 954, doi. 10.1002/1096-987X(200008)21:11<954::AID-JCC5>3.0.CO;2-4
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Conformational splitting: A more powerful criterion for dead-end elimination.
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- Journal of Computational Chemistry, 2000, v. 21, n. 11, p. 999, doi. 10.1002/1096-987X(200008)21:11<999::AID-JCC9>3.0.CO;2-A
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A hybrid ab initio/free electron computational model for conjugated dye molecules: Simple cyanines and oxonols.
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- Journal of Computational Chemistry, 2000, v. 21, n. 11, p. 943, doi. 10.1002/1096-987X(200008)21:11<943::AID-JCC4>3.0.CO;2-B
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Flexible ligand docking using a robust evolutionary algorithm.
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- Journal of Computational Chemistry, 2000, v. 21, n. 11, p. 988, doi. 10.1002/1096-987X(200008)21:11<988::AID-JCC8>3.0.CO;2-H
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Molecular surfaces from the promolecule: A comparison with Hartree-Fock ab initio electron density surfaces.
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- Journal of Computational Chemistry, 2000, v. 21, n. 11, p. 933, doi. 10.1002/1096-987X(200008)21:11<933::AID-JCC3>3.0.CO;2-F
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MSINDO parameterization for third-row main group elements.
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- Journal of Computational Chemistry, 2000, v. 21, n. 11, p. 974, doi. 10.1002/1096-987X(200008)21:11<974::AID-JCC7>3.0.CO;2-X
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A generator of protein folding kinetics states for the diffusion-collision model.
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- Journal of Computational Chemistry, 2000, v. 21, n. 11, p. 923, doi. 10.1002/1096-987X(200008)21:11<923::AID-JCC2>3.0.CO;2-J
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Interaction of neutral and zwitterionic glycine with Zn<sup>2+</sup> in gas phase: ab initio and SIBFA molecular mechanics calculations.
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- Journal of Computational Chemistry, 2000, v. 21, n. 11, p. 963, doi. 10.1002/1096-987X(200008)21:11<963::AID-JCC6>3.0.CO;2-3
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