A computational study of the threshold energies of the 1,2-FCl interchange reaction of chlorofluoroethanes.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1112, doi. 10.1139/V10-088
- By:
- Publication type:
- Article
Works matching IS 00084042 AND DT 2010 AND VI 88 AND IP 11
Results: 17
1
2
Configurations and conformations of glycosyl sulfoxides.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1154, doi. 10.1139/V10-091
- By:
- Publication type:
- Article
3
A theoretical analysis of the kinetics of the reaction of atomic bromine with tetrahydrofuran.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1136, doi. 10.1139/V10-092
- By:
- Publication type:
- Article
4
Geminal acylation of α-heterosubstituted cyclohexanones and their ketals.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1118, doi. 10.1139/V10-097
- By:
- Publication type:
- Article
5
Nonlinear time-dependent density functional theory investigation and visualization of ionizations in CO<sub>2</sub> - Effects of laser intensities and molecular orientations.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1186, doi. 10.1139/V10-108
- By:
- Publication type:
- Article
6
On the stabilization of the carbonate dianion by sulfur dioxide.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1125, doi. 10.1139/V10-115
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- Publication type:
- Article
7
Theoretical study of the microwave spectrum of isotopologues of OCS-(He)<sub>2</sub>.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1146, doi. 10.1139/V10-116
- By:
- Publication type:
- Article
8
A general measure of conjugation in biphenyls and their radical cations.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1175, doi. 10.1139/V10-126
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- Publication type:
- Article
9
The 9-barbaralyl and related C<sub>9</sub>H<sub>9</sub><sup>+</sup> carbocations - A QTAIM-DI-VISAB computational study.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1195, doi. 10.1139/V10-131
- By:
- Publication type:
- Article
10
Tribute / Hommage.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. ix, doi. 10.1139/v10-902
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- Publication type:
- Article
11
Density-functional and global optimization study of copper-tin core-shell clusters.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1071, doi. 10.1139/V10-066
- By:
- Publication type:
- Article
12
New insights concerning the mechanism of reversible thermochromic mixtures.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1063, doi. 10.1139/V10-069
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- Publication type:
- Article
13
Is the oxygen 'side-on', or 'end-on' and fluctional, in peroxyl radicals with magnetically equivalent oxygen atoms?
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1053, doi. 10.1139/V10-071
- By:
- Publication type:
- Article
14
Nonempirical density-functional theory for van der Waals interactions.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1057, doi. 10.1139/V10-073
- By:
- Publication type:
- Article
15
Ring-chain equilibria of R-but-3-enoate esters - A quantum mechanical study of direct and indirect ring-closing reactions.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1094, doi. 10.1139/V10-074
- By:
- Publication type:
- Article
16
A water potential based on multipole moments trained by machine learning - Reducing maximum energy errors.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1104, doi. 10.1139/V10-075
- By:
- Publication type:
- Article
17
On the nature of homo- and hetero-dinuclear metal-metal quadruple bonds - Analysis of the bonding situation and benchmarking DFT against wave function methods.
- Published in:
- Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1079, doi. 10.1139/V10-078
- By:
- Publication type:
- Article