Works matching IS 00084042 AND DT 2013 AND VI 91 AND IP 7
Results: 23
Keto, thione, selone, and tellone carotenoids - Changing antioxidants to antireductants.
- Published in:
- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 621, doi. 10.1139/cjc-2012-0545
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- Article
Electronic propensity of Cu(II) versus Cu(I) sites in zeolites to activate NO - Spin- and orbital-resolved Cu-NO electron transfer.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 538, doi. 10.1139/cjc-2012-0536
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- Article
Density functional theory study of allopurinol.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 637, doi. 10.1139/cjc-2012-0538
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- Article
Chemical bonding in groups 10, 11, and 12 transition metal homodimers - An electron density study.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 583, doi. 10.1139/cjc-2012-0549
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- Article
A survey on pure sampling in quantum Monte Carlo methods.
- Published in:
- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 505, doi. 10.1139/cjc-2012-0539
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- Article
List of Papers.
- Published in:
- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. vii, doi. 10.1139/cjc-2013-0242
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- Article
Kinetics of gene expression in bacteria - From models to measurements, and back again.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 487, doi. 10.1139/cjc-2012-0409
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- Article
QM/MM MD and free energy simulations of the methylation reactions catalyzed by protein arginine methyltransferase PRMT3.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 605, doi. 10.1139/cjc-2012-0483
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- Article
Computational study on the deamination reaction of adenine with OH<sup>−</sup>/ nH<sub>2</sub>O ( n = 0, 1, 2, 3) and 3H<sub>2</sub>O.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 518, doi. 10.1139/cjc-2012-0416
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- Article
Ti-coated BC<sub>2</sub>N nanotubes as hydrogen storage materials.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 598, doi. 10.1139/cjc-2012-0386
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- Article
A density functional study of Rh<sub>13</sub>.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 591, doi. 10.1139/cjc-2012-0493
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- Article
High-resolution electron spectroscopy and molecular structures of Cu-(2,2′-bipyridine) and Cu-(4,4′-bipyridine).
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 613, doi. 10.1139/cjc-2012-0543
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- Article
Interactions of laulimalide, peloruside, and their derivatives with the isoforms of β-tubulin.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 511, doi. 10.1139/cjc-2012-0360
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- Article
The hemibond as an alternative condensed phase structure for the hydroxyl radical.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 544, doi. 10.1139/cjc-2012-0520
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- Article
Hydrogen peroxide as oxidant in bio-mimetic catalysis by manganese porphyrin: Theoretical DFT studies.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 642, doi. 10.1139/cjc-2012-0513
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- Article
<sup>13</sup>C NMR chemical shift calculations of charged surfactants in water - A combined density functional theory (DFT) and molecular dynamics (MD) methodological study.
- Published in:
- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 529, doi. 10.1139/cjc-2012-0505
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Tribute.
- Published in:
- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. v, doi. 10.1139/cjc-2013-0099
- Publication type:
- Article
Selecting DFT methods for use in optimizations of enzyme active sites: applications to ONIOM treatments of DNA glycosylases.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 559, doi. 10.1139/cjc-2012-0506
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- Article
A dispersion-corrected density functional theory study of hexamers of formic acid.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 527, doi. 10.1139/cjc-2012-0507
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- Article
Franck-Condon factors-Computational approaches and recent developments.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 495, doi. 10.1139/cjc-2012-0518
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- Article
Investigation of the molecular mechanisms of electronic decoherence within a quinone cofactor.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 628, doi. 10.1139/cjc-2012-0529
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- Article
In situ time-resolved X-ray diffraction study of the synthesis of Mo<sub>2</sub>C with different carburization agents.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 573, doi. 10.1139/cjc-2012-0516
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- Article
QM/MM molecular dynamics simulations of the hydration of Mg(II) and Zn(II) ions.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 7, p. 552, doi. 10.1139/cjc-2012-0515
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- Article