Works matching IS 01928651 AND DT 2012 AND VI 33 AND IP 24
Results: 9
A simplified homology-model builder toward highly protein-like structures: An inspection of restraining potentials.
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- Journal of Computational Chemistry, 2012, v. 33, n. 24, p. 1927, doi. 10.1002/jcc.23024
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- Article
Computational study on hydrolysis of cefotaxime in gas phase and in aqueous solution.
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- Journal of Computational Chemistry, 2012, v. 33, n. 24, p. 1948, doi. 10.1002/jcc.23030
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- Article
Gas-phase reactions of SiH<sub> n</sub><sup>+</sup> ( n = 1,2) with NF<sub>3</sub>: A computational investigation on the detailed mechanistic aspects.
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- Journal of Computational Chemistry, 2012, v. 33, n. 24, p. 1918, doi. 10.1002/jcc.23023
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- Article
Highly efficient and exact method for parallelization of grid-based algorithms and its implementation in DelPhi.
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- Journal of Computational Chemistry, 2012, v. 33, n. 24, p. 1960, doi. 10.1002/jcc.23033
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Cover Image, Volume 33, Issue 24.
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- Journal of Computational Chemistry, 2012, v. 33, n. 24, p. i, doi. 10.1002/jcc.22079
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- Article
Comment on the paper 'Extensive Theoretical Studies of a New Energetic Material: Tetrazino-Tetrazine-Tetraoxide (TTTO)' by Xinli Song, Jicun Li, Hua Hou, and Baoshan Wang.
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- Journal of Computational Chemistry, 2012, v. 33, n. 24, p. 1967, doi. 10.1002/jcc.23015
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- Article
Inside Cover, Volume 33, Issue 24.
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- Journal of Computational Chemistry, 2012, v. 33, n. 24, p. iii, doi. 10.1002/jcc.22080
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- Article
Reoptimized interaction parameters for the peptide-backbone model compound N-methylacetamide in the GROMOS force field: Influence on the folding properties of two beta-peptides in methanol.
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- Journal of Computational Chemistry, 2012, v. 33, n. 24, p. 1907, doi. 10.1002/jcc.23021
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- Article
A quantum chemical calculation on Fe(CO)<sub>5</sub> revealing the operation of the Dewar-Chatt-Duncanson model.
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- Journal of Computational Chemistry, 2012, v. 33, n. 24, p. 1936, doi. 10.1002/jcc.23029
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- Article