Works matching IS 01928651 AND DT 2007 AND VI 28 AND IP 14
Results: 16
A systematic quantum chemical investigation of the C&bond;H bond activation in methane by gas phase vanadium oxide cation VO<sup>+</sup>.
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- Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2252, doi. 10.1002/jcc.20584
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- Article
Substitution effect on the geometry and electronic structure of the ferrocene.
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- Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2260, doi. 10.1002/jcc.20629
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- Article
A comparative quantum chemical study of the ruthenium catalyzed olefin metathesis.
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- Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2275, doi. 10.1002/jcc.20709
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- Article
An object-oriented library for computational protein design.
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- Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2378, doi. 10.1002/jcc.20727
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- Article
Theoretical study on the low-lying electronic states of NiH and NiAt.
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- Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2286, doi. 10.1002/jcc.20742
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- Article
Efficient algorithm for “on-the-fly” error analysis of local or distributed serially correlated data.
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- Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2309, doi. 10.1002/jcc.20746
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- Article
Model transition states for methane diazonium ion methylation of guanine runs in oligomeric DNA.
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- Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2352, doi. 10.1002/jcc.20754
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- Article
Structure and bonding of Ag(I)–DNA base complexes and Ag(I)–adenine–cytosine mispairs: An ab Initio study.
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- Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2299, doi. 10.1002/jcc.20743
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- Article
Windock: Structure-based drug discovery on windows-based PCs.
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- Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2347, doi. 10.1002/jcc.20756
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- Article
Chemical interpretation of molecular electron density distributions.
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- Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2317, doi. 10.1002/jcc.20747
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- Article
WATGEN: An algorithm for modeling water networks at protein–protein interfaces.
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- Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2241, doi. 10.1002/jcc.20751
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- Article
An extended dead-end elimination algorithm to determine gap-free lists of low energy states.
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- Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2325, doi. 10.1002/jcc.20749
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- Article
New invariant of DNA sequence based on 3DD-curves and its application on phylogeny.
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- Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2342, doi. 10.1002/jcc.20760
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- Article
Why does electron sharing lead to covalent bonding? A variational analysis.
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- 2007
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- Correction Notice
Variation of spectral, structural, and vibrational properties within the intrinsically fluorescent proteins family: A density functional study.
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- Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2366
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- Article
Prediction of refractive index of vinyl polymers by using density functional theory.
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- Journal of Computational Chemistry, 2007, v. 28, n. 14, p. 2336, doi. 10.1002/jcc.20752
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- Article