Cover Image, Volume 118, Issue 21.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 21, p. N.PAG, doi. 10.1002/qua.25829
- Publication type:
- Article
Works matching IS 00207608 AND DT 2018 AND VI 118 AND IP 21
Results: 12
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Geometry of the canonical Van Vleck transformation part II: Further developments and numerical treatment.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 21, p. N.PAG, doi. 10.1002/qua.25724
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- Publication type:
- Article
3
Superacidity of P(OH)<sub>3</sub> and SO(OH)<sub>2</sub> derivatives of cyclopentadiene and vinylcyclopentadiene in the gas phase: A computational DFT analysis.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 21, p. N.PAG, doi. 10.1002/qua.25754
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- Publication type:
- Article
4
Mechanisms and stereoselectivities of phosphine‐catalyzed (3+3) cycloaddition reaction between azomethine imine and ynone: A computational study.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 21, p. N.PAG, doi. 10.1002/qua.25729
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- Publication type:
- Article
5
Mg<sub>3</sub>F<sub>7</sub>: A superhalogen with potential for new nanomaterials design.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 21, p. N.PAG, doi. 10.1002/qua.25728
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- Publication type:
- Article
6
Fisher information in confined isotropic harmonic oscillator.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 21, p. N.PAG, doi. 10.1002/qua.25727
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- Publication type:
- Article
7
Uncontracted basis sets for ab initio calculations of muonic atoms and molecules.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 21, p. N.PAG, doi. 10.1002/qua.25755
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- Publication type:
- Article
8
Computational exploration of Pd‐catalyzed C–H bond activation reactions.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 21, p. N.PAG, doi. 10.1002/qua.25723
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- Publication type:
- Article
9
MgCl<sub>2</sub>‐supported Ziegler‐Natta catalysts: A DFT‐D 'flexible‐cluster' approach. TiCl<sub>4</sub> and probe donor adducts.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 21, p. N.PAG, doi. 10.1002/qua.25721
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- Publication type:
- Article
10
Modeling zinc‐oxygen coordination in histone deacetylase: A comparison of semiempirical methods performance.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 21, p. N.PAG, doi. 10.1002/qua.25720
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- Publication type:
- Article
11
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 21, p. N.PAG, doi. 10.1002/qua.25483
- Publication type:
- Article
12
Li<sub>4</sub>C<sub>4</sub>H<sub>2</sub>N<sub>2</sub>: A molecule with large hyperpolarizabilities and electride characteristic.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 21, p. N.PAG, doi. 10.1002/qua.25661
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- Publication type:
- Article