Cover Image, Volume 118, Issue 22.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 22, p. N.PAG, doi. 10.1002/qua.25830
- Publication type:
- Article
Works matching IS 00207608 AND DT 2018 AND VI 118 AND IP 22
Results: 12
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Time‐dependent density‐functional study of the photoabsorption spectrum of Au<sub>25</sub>(SC<sub>2</sub>H<sub>4</sub>C<sub>6</sub>H<sub>5</sub>)<sub>18</sub> anion: Validation of the computational protocol.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 22, p. N.PAG, doi. 10.1002/qua.25769
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- Publication type:
- Article
3
Next‐generation quantum theory of atoms in molecules for the ground and excited states of fulvene.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 22, p. N.PAG, doi. 10.1002/qua.25768
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- Publication type:
- Article
4
Theoretical study of the single noble metal stabilized on metal oxide clusters catalyze the water‐gas shift reaction.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 22, p. N.PAG, doi. 10.1002/qua.25767
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- Publication type:
- Article
5
Hydrogen migration in Coulomb explosion of cyclohexane to C<sub>2</sub>H<sub>4</sub><sup>+</sup> and C<sub>4</sub>H<sub>8</sub><sup>+</sup>: Theoretical and experimental studies.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 22, p. N.PAG, doi. 10.1002/qua.25764
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- Publication type:
- Article
6
Binuclear pentalene titanium carbonyls: Comparison with related cyclopentadienyltitanium carbonyls.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 22, p. N.PAG, doi. 10.1002/qua.25762
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- Article
7
Uncontracted core Pople basis sets in vibrational frequency calculations.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 22, p. N.PAG, doi. 10.1002/qua.25761
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- Publication type:
- Article
8
Aromaticity of some carbenes and their heavier analogs in light of gauge‐including magnetically induced current approach as a new magnetic criterium.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 22, p. N.PAG, doi. 10.1002/qua.25759
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- Publication type:
- Article
9
How intrinsic nuclear nonadiabaticity affects molecular structure, electronic density, and conformational stability: Insights from the multicomponent DFT calculations of Mu/H isotopologues.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 22, p. N.PAG, doi. 10.1002/qua.25758
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- Publication type:
- Article
10
Computational study on the interaction of nucleobases with boron‐rich boron nitride nanotubes.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 22, p. N.PAG, doi. 10.1002/qua.25757
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- Publication type:
- Article
11
The high reactive site and the unusually short Sc‐C bond of the scandium phosphinoalkylidene complex, an explanation from first‐principles calculation.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 22, p. N.PAG, doi. 10.1002/qua.25691
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- Publication type:
- Article
12
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 22, p. N.PAG, doi. 10.1002/qua.25484
- Publication type:
- Article