Works matching IS 01928651 AND DT 2004 AND VI 25 AND IP 10
Results: 10
Putting error bars on the Ab Initio theoretical estimates of the magnetic coupling constants: The parent compounds of superconducting cuprates as a case study.
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- Journal of Computational Chemistry, 2004, v. 25, n. 10, p. 1234, doi. 10.1002/jcc.20052
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- Article
Molecular dynamics implementation in MSINDO: Study of silicon clusters.
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- Journal of Computational Chemistry, 2004, v. 25, n. 10, p. 1255, doi. 10.1002/jcc.20005
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- Article
Cluster distance geometry of polypeptide chains.
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- Journal of Computational Chemistry, 2004, v. 25, n. 10, p. 1305, doi. 10.1002/jcc.20056
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- Article
ATP-dependent active transport simulations based on a phosphatase-channel-kinase membrane structure.
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- Journal of Computational Chemistry, 2004, v. 25, n. 10, p. 1264, doi. 10.1002/jcc.20051
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- Article
A new method to locate saddle points for reactions in solution by using the free-energy gradient method and the mean field approximation.
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- Journal of Computational Chemistry, 2004, v. 25, n. 10, p. 1227, doi. 10.1002/jcc.20048
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- Article
Mechanism for ribonucleotide reductase inactivation by the anticancer drug gemcitabine.
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- Journal of Computational Chemistry, 2004, v. 25, n. 10, p. 1286, doi. 10.1002/jcc.20054
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Binding affinity prediction with different force fields: Examination of the linear interaction energy method.
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- Journal of Computational Chemistry, 2004, v. 25, n. 10, p. 1242, doi. 10.1002/jcc.20047
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Reaction pathways and projection operators: Application to string methods.
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- Journal of Computational Chemistry, 2004, v. 25, n. 10, p. 1277, doi. 10.1002/jcc.20053
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- Article
Macrocyclic vs. dendrimeric effect. A DFT study.
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- Journal of Computational Chemistry, 2004, v. 25, n. 10, p. 1215, doi. 10.1002/jcc.20046
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- Article
An algorithm for computing nucleic acid base-pairing probabilities including pseudoknots.
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- Journal of Computational Chemistry, 2004, v. 25, n. 10, p. 1295, doi. 10.1002/jcc.20057
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- Article