Theoretical studies on the structures and detonation properties of nitro derivatives of symmetric benzo-dicycloureas.
- Published in:
- Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 803, doi. 10.1139/cjc-2013-0593
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- Publication type:
- Article
Works matching IS 00084042 AND DT 2014 AND VI 92 AND IP 9
Results: 14
1
2
Gas-phase reaction of ClO<sup>−</sup> with CH<sub> n</sub>Cl<sub>4-</sub><sub> n</sub> ( n = 0, 1, 2, 3) and CX<sub>3</sub>H (X = F, Cl and Br): Substituent effect from a comparative study.
- Published in:
- Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 868, doi. 10.1139/cjc-2014-0245
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- Publication type:
- Article
3
Origin of reversal of stereoselectivity for [4+2] cycloaddition reaction between cyclopentadiene and methyl methacrylate in the presence of the chloroloaluminate ionic liquid (1-ethyl-3-methyl-imidazolium chloride): in silico studies.
- Published in:
- Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 862, doi. 10.1139/cjc-2014-0189
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- Publication type:
- Article
4
Synthesis and characterization of several series of 4-acyl-1-[2-aryl-1-diazenyl]piperazines.
- Published in:
- Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 838, doi. 10.1139/cjc-2014-0242
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- Publication type:
- Article
5
Theoretical study of 11-thiocyanatoundecanoic acid phenylamide derivatives on corrosion inhibition efficiencies.
- Published in:
- Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 876, doi. 10.1139/cjc-2014-0076
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- Publication type:
- Article
6
Molecular dynamics investigation of the effect of solvent adsorption on crystal habits of hexogen.
- Published in:
- Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 849, doi. 10.1139/cjc-2014-0243
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- Publication type:
- Article
7
OH-initiated AOPs degradation mechanism of ibuprofen in aqueous environments.
- Published in:
- Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 831, doi. 10.1139/cjc-2014-0207
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- Publication type:
- Article
8
Investigations on the mechanisms of interactions between matrix metalloproteinase 9 and its flavonoid inhibitors using a combination of molecular docking, hybrid quantum mechanical/molecular mechanical calculations, and molecular dynamics simulations.
- Published in:
- Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 821, doi. 10.1139/cjc-2014-0180
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- Publication type:
- Article
9
Theoretical calculation of the low-lying electronic states of the LaH molecule.
- Published in:
- Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 855, doi. 10.1139/cjc-2014-0057
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- Publication type:
- Article
10
Synthesis of reduction-sensitive 1,1-diarylhydrazines from 1,1-diarylamines.
- Published in:
- Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 904, doi. 10.1139/cjc-2014-0132
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- Publication type:
- Article
11
Theoretical study of phenol and hydroxyl radical reaction mechanism in aqueous medium by the DFT/B3LYP/6-31+G(d,p)/CPCM model.
- Published in:
- Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 809, doi. 10.1139/cjc-2014-0191
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- Publication type:
- Article
12
Regioselective palladium-catalyzed ring-opening reactions of C<sub>1</sub>-substituted oxabenzonorbornadienes.
- Published in:
- Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 888, doi. 10.1139/cjc-2014-0217
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- Publication type:
- Article
13
A theoretical study of 3,5-diazido-1,2,4-triazole: the role of the hydrogen bonding interaction in stabilizing the molecular system.
- Published in:
- Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 896, doi. 10.1139/cjc-2014-0136
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- Publication type:
- Article
14
Quantum chemical study on the atmospheric photooxidation of ethyl acetate.
- Published in:
- Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 814, doi. 10.1139/cjc-2014-0199
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- Publication type:
- Article