Quantum chemical modeling of the addition reactions of 1-n-phenylpropyl radicals to C<sub>60</sub> fullerene.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 7, p. 489, doi. 10.1002/qua.25071
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2016 AND VI 116 AND IP 7
Results: 10
1
2
Theoretical study of atoms by the electronic kinetic energy density and stress tensor density.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 7, p. 504, doi. 10.1002/qua.25073
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- Publication type:
- Article
3
Density functional theory study on the possibility of Si-, Ge-, and Sn-doped carbon nanotubes as efficient support materials for platinum.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 7, p. 515, doi. 10.1002/qua.25074
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- Publication type:
- Article
4
Structures and basicity of Li<sub> N</sub>OH ( N = 1 − 5) species.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 7, p. 524, doi. 10.1002/qua.25075
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- Publication type:
- Article
5
Homonuclear chalcogen-chalcogen bond interactions in complexes pairing YO<sub>3</sub> and YHX molecules ( Y = S, Se; X = H, Cl, Br, CCH, NC, OH, OCH<sub>3</sub>): Influence of substitution and cooperativity.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 7, p. 529, doi. 10.1002/qua.25076
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- Publication type:
- Article
6
Theoretical insights into the relative bonding of normal and abnormal N-heterocyclic carbenes in [ Pd Cl<sub>2</sub>( NHC<sup>R</sup>)<sub>2</sub>] and [ Pd Cl<sub>2</sub>( NHC<sup>R</sup>)(a NHC<sup>R</sup>)] ( R = H, Ph, Mes).
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 7, p. 537, doi. 10.1002/qua.25077
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- Article
7
Cover Image, Volume 116, Issue 7.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 7, p. i, doi. 10.1002/qua.25110
- Publication type:
- Article
8
Issue information.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 7, p. 483, doi. 10.1002/qua.25111
- Publication type:
- Article
9
Reactivity of molecular oxygen with aluminum clusters: Density functional and Ab Initio molecular dynamics simulation study.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 7, p. 547, doi. 10.1002/qua.25080
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- Publication type:
- Article
10
The effect of confinement on the electronic energy and polarizability of a hydrogen molecular ion.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 7, p. 497, doi. 10.1002/qua.25084
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- Publication type:
- Article